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2944-87-8

Basic Information
CAS No.: 2944-87-8
Name: 6alpha-Hydroxytestosterone
Article Data: 4
Molecular Structure:
Molecular Structure of 2944-87-8 (6alpha-Hydroxytestosterone)
Formula: C19H28O3
Molecular Weight: 304.43
Synonyms: Androst-4-en-3-one,6a,17b-dihydroxy- (7CI,8CI);6a-Hydroxytestosterone;Androst-4-ene-6a,17b-diol-3-one;
Density: 1.19g/cm3
Boiling Point: 479.8 °C at 760 mmHg
Flash Point: 258.1 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-40-63
Safety: 22-36
PSA: 57.53000
LogP: 2.85000
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  • Androst-4-en-3-one,6,17-dihydroxy-, (6a,17b)- (9CI)

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  • 6alpha-Hydroxytestosterone

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  • 4-androsten-6α, 17β-diol-3-one

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Specification

The 6alpha-Hydroxytestosterone, with CAS registry number 2944-87-8, belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Metabolites & Impurities; (3)Pharmaceuticals; (4)Steroids. It has the systematic name of (6alpha,17beta)-6,17-dihydroxyandrost-4-en-3-one.

Physical properties about this chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.29; (6)ACD/BCF (pH 7.4): 15.29; (7)ACD/KOC (pH 5.5): 245.11; (8)ACD/KOC (pH 7.4): 245.11; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 84.62 cm3; (15)Molar Volume: 254.9 cm3; (16)Polarizability: 33.54×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Enthalpy of Vaporization: 85.77 kJ/mol; (19)Vapour Pressure: 3.19E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 6alpha-Hydroxytestosterone is harmful by inhalation, in contact with skin and if swallowed. So do not breathe dust. And this chemical has limited evidence of a carcinogenic effect and possible risk of harm to the unborn child. When use it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]43CCC(=O)\C=C4\[C@@H](O)C[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12
(2)InChI: InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
(3)InChIKey: XSEGWEUVSZRCBC-QXROXWLYBB
(4)Std. InChI: InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
(5)Std. InChIKey: XSEGWEUVSZRCBC-QXROXWLYSA-N