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22957-48-8

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Basic Information
CAS No.: 22957-48-8
Name: 2'H-Androst-2-eno[3,2-c]pyrazol-17-ol,17-methyl-, (17b)- (9CI)
Molecular Structure:
Molecular Structure of 22957-48-8 (2'H-Androst-2-eno[3,2-c]pyrazol-17-ol,17-methyl-, (17b)- (9CI))
Formula: C21H32N2O
Molecular Weight: 328.498
Synonyms: 2'H-Androst-2-eno[3,2-c]pyrazol-17b-ol, 17-methyl- (8CI);
EINECS: 245-351-2
Density: 1.16 g/cm3
Boiling Point: 463.3 °C at 760 mmHg
Flash Point: 234 °C
PSA: 40.95000
LogP: 3.81620
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Specification

The 2'H-Androst-2-eno[3,2-c]pyrazol-17-ol,17-methyl-, (17beta)- (9CI), with the CAS registry number 22957-48-8, is also known as (17beta)-17-Methyl-2'H-androst-2-eno(3,2-c)pyrazol-17-ol. Its EINECS registry number is 245-351-2. This chemical's molecular formula is C21H32N2O and molecular weight is 328.4916. Its systematic name is called 5alpha,7alpha,8-trimethyl-5,5alpha,5beta,6,7,7alpha,8,9,10,10alpha,10beta,11,12,12alpha-tetradecahydro-1H-indeno[5,4-f]pyrazolo[1,5-a]quinolin-8-ol.

Physical properties of 2'H-Androst-2-eno[3,2-c]pyrazol-17-ol,17-methyl-, (17beta)- (9CI): (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 4.92; (5)ACD/BCF (pH 7.4): 5.04; (6)ACD/KOC (pH 5.5): 29.4; (7)ACD/KOC (pH 7.4): 30.13; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.61; (12)Molar Refractivity: 97.66 cm3; (13)Molar Volume: 281.3 cm3; (14)Surface Tension: 49.8 dyne/cm; (15)Density: 1.16 g/cm3; (16)Flash Point: 234 °C; (17)Enthalpy of Vaporization: 83.55 kJ/mol; (18)Boiling Point: 463.3 °C at 760 mmHg; (19)Vapour Pressure: 1.57E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC5(C4(C(C3C(C1(C(N2\C(=C/C1)\C=C/N2)CC3)C)CC4)CC5)C)C
(2)InChI: InChI=1/C21H32N2O/c1-19-10-6-14-9-13-22-23(14)18(19)5-4-15-16(19)7-11-20(2)17(15)8-12-21(20,3)24/h6,9,13,15-18,22,24H,4-5,7-8,10-12H2,1-3H3
(3)InChIKey: QBCSWYQAQBHPRM-UHFFFAOYAS