(5α,17β)-17-Hydroxy-2,17-dimethylandrost-1-en-3-one supplier

Name
2,17A-DIMETHYL-17BETA-HYDROXY-5A-ANDROST-1-ENE-3-ONE
EINECS
CAS No. 6176-38-1
Article Data4
CAS DataBase
Density 1.064 g/cm³
Solubility
Melting Point
Formula C₂₁H₃₂O₂
Boiling Point 433.018 °C at 760 mmHg
Molecular Weight 316.484
Flash Point 184.694 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5α-Androst-1-en-3-one,17β-hydroxy-2,17-dimethyl- (6CI,7CI,8CI);NSC 74234;17β-Hydroxy-2,17-dimethyl-5α-androst-1-en-3-one;
PSA 37.30000
LogP 4.51530

(5α,17β)-17-Hydroxy-2,17-dimethylandrost-1-en-3-one Specification

The (5α,17β)-17-Hydroxy-2,17-dimethylandrost-1-en-3-one, with the CAS registry number 6176-38-1, is also known as 17β-Hydroxy-2,17-dimethyl-5α-androst-1-en-3-one. This chemical's molecular formula is C₂₁H₃₂O₂ and molecular weight is 316.48. What's more, its systematic name is (5α,17β)-17-Hydroxy-2,17-dimethylandrost-1-en-3-one.

Physical properties of (5α,17β)-17-Hydroxy-2,17-dimethylandrost-1-en-3-one are: (1)ACD/LogP: 4.097; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.10; (4)ACD/LogD (pH 7.4): 4.10; (5)ACD/BCF (pH 5.5): 765.38; (6)ACD/BCF (pH 7.4): 765.38; (7)ACD/KOC (pH 5.5): 4035.33; (8)ACD/KOC (pH 7.4): 4035.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 92.417 cm³; (15)Molar Volume: 297.32 cm³; (16)Polarizability: 36.637×10^-24cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.064 g/cm³; (19)Flash Point: 184.694 °C; (20)Enthalpy of Vaporization: 79.533 kJ/mol; (21)Boiling Point: 433.018 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C(=C/[C@]1([C@@H](CC[C@@H]2[C@@H]1CC[C@]3([C@H]2CC[C@@]3(O)C)C)C4)C)C
(2)Std. InChI: InChI=1S/C21H32O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h12,14-17,23H,5-11H2,1-4H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
(3)Std. InChIKey: TVTSDURKYARCML-IYRCEVNGSA-N

Product Name

2,17A-DIMETHYL-17BETA-HYDROXY-5A-ANDROST-1-ENE-3-ONE

(5α,17β)-17-Hydroxy-2,17-dimethylandrost-1-en-3-one Specification

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