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17?-hydroxyprogesterone

4月 23rd, 2024 News

Structural formula

Business number 01FG
Molecular formula C21H30O3
Molecular weight 330.46
label

17?-Hydroxyprogesterone,

17?-hydroxypregnant-4-ene-3,20-dione,

Hydroxyprogesterone,

Pregnant-4-en-17?-ol-3,20-dione,

17hydroxyprogesterone,

17?-Hydroxyprogesterone,

17?-Hydroxypregnenedione,

17-hydroxypregnanthin,

4-Pregnen-17?-ol-3,20-dione,

17?-Hydroxy-4-pregnene-3,20-dione

Numbering system

CAS number:68-96-2

MDL number:MFCD00003659

EINECS number:200-699-4

RTECS number:TU5060000

BRN number:3218109

PubChem number:24278469

Physical property data

1. Character: White diamond-shaped or hexagonal leaf-shaped crystals. 2. Density (g/mL, 25/4?): Uncertain

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 221? ( 219-220?). 5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: 90 ° (C=1, CHCl3)

p>

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC ): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Easily soluble in ethanol and ether, soluble in benzene, insoluble in water.

Toxicological data

Reproduction: Female intramuscular TDLo: 65 mg/kgSEX/DURATION: female 8-32 week(s) after conception; Rabbit subcutaneous injection TDLo: 5 mg/kgSEX/DURATION: female 1 day(s) pre-mating;

Ecological data

None

Molecular structure data

1. Molar refractive index: 92.52

2. Molar volume (cm3/mol): 286.0

3. Isotonic specific volume (90.2K ): 747.2

4. Surface tensionForce (dyne/cm): 46.5

5. Polarizability (10-24cm3): 36.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 10

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 635

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 6

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

For biochemical research. Preparation of progesterone derivatives. ??

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N-acetyl-L-proline

N-acetyl-L-proline

4月 23rd, 2024 News

N-acetyl-L-proline structural formula

Structural formula

Business number 01FF
Molecular formula C7H11NO3
Molecular weight 157.18
label

N-Acetyl-L-proline,

1-Acetyl-L-proline,

Acetyl-L-proline,

Nalpha-Acetyl-L-proline

Numbering system

CAS number:68-95-1

MDL number:MFCD00020837

EINECS number:200-698-9

RTECS number:None

BRN number:83200

PubChem number:24890453

Physical property data

1. Appearance: White needle-like crystal

2. Density (g/mL, 25/4?): Uncertain

3. Relative vapor density (g/mL , air=1): Uncertain

4. Melting point (ºC): 115-117

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): -86 º (c=1 EtOH)

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor Pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

p>

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) partition coefficient The logarithmic value of p>

19. Solubility: Uncertain

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 37.32

2. Molar volume (cm3/mol): 123.2

3. Isotonic specific volume (90.2K ): 332.3

4. Surface tension (dyne/cm): 52.8

5. Polarizability (10-24cm3): 14.79

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 57.6

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 190

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in a sealed, cool, dry place.

Synthesis method

None

Purpose

It is an important fine organic chemical intermediate and is widely used in medicine, pesticides, chemical industry and other fields.

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hypoxanthine

hypoxanthine

4月 23rd, 2024 News

Hypoxanthine structural formula

Structural formula

Business number 01FE
Molecular formula C5H4N4O
Molecular weight 136.11
label

1,7-dihydro-6H-purin-6-one,

6-Hydroxypurine,

6-Hydroxypurine,

6-oxopurine,

Hypoxanthine,

6-hypoxanthine,

Purine-6(1H)-one

Numbering system

CAS number:68-94-0

MDL number:MFCD00005725

EINECS number:200-697-3

RTECS number:UP0791000

BRN number:5811

PubChem number:24895850

Physical property data

1. Character:Needle crystal


2. Density (g/mL,25/4?): Unsure


3. Relative vapor density (g/mL,AIR=1): Unsure


4. Melting point (ºC):>360


5. Boiling point (ºC,Normal pressure): Uncertain


6. Boiling point (ºC, 5.2kPa): Unsure


7. Refractive index:Not sure


8. Flash point (ºC): Unsure


9. Specific optical rotation (º): Unsure


10. Autoignition point or ignition temperature (ºC): Unsure


11. Vapor pressure (kPa,25ºC): Unsure


12. saturated vapor Pressure (kPa,60ºC ): Unsure


13. Heat of combustion (KJ/mol): Unsure


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain


17. Explosion limit ( %,V/V): Unsure


18. Lower explosion limit (%,V/V): Unsure


19. Solubility:Almost insoluble in water0.078/100m1(19?)1.4g/100ml(100?) . Soluble in dilute acids and alkalis, such as 0.5mol/LSulfuric acid or10mol /LSodium hydroxide

Toxicological data

Acute toxicity: mouse abdominal D50: 750 mg/kg;
Reproduction: mouse abdominal cavityTDLo?600 mg/kgSEX/DURATION : female 13 day(s) after conception;
Mouse abdominal cavityTDLo?1 gm/kgSEX/DURATION : female 13 day(s) after conception;

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 8

6. Topological molecule polar surface area 70.1

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 190

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Together with xanthine, it is widely present in animals and plants. The inosinic acid of its nucleotide is the precursor of the purine nucleotide of nucleic acid. It is also the parent body of caffeine. Hypoxanthine can be produced through the action of adenine deaminase or nitrite.Purine deamination can also result in the phosphorolysis of inosine through nucleoside phosphorylase.

Storage method

This product should be kept sealed, cool and dry.

Synthesis method



Ethyl cyanoacetate, sodium ethoxide, and thiourea The combination reaction gives 2- Thiol-4-Amino -6-Hydroxypyrimidine , and then undergo nitrosation, reduction, elimination, and cyclization to obtain 6-Hydroxypurine.

Purpose

Anti-malignant tumor drugs6-Intermediate of mercaptopurine.

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