CAS No.963-74-6,5ALPHA-ANDROSTAN-17-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	963-74-6
Name:	5ALPHA-ANDROSTAN-17-ONE
Article Data:	74

Formula:	C₁₉H₃₀O
Molecular Weight:	274.447
Synonyms:	5a-Androstan-17-one (6CI,8CI);17-Oxo-5a-androstane;NSC 90582;
EINECS:	213-516-8
Density:	1.014 g/cm³
Boiling Point:	368.5 °C at 760 mmHg
Flash Point:	168.7 °C
PSA:	17.07000
LogP:	4.98830

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Specification

The Androstan-17-one, (5a)- is an organic compound with the formula C₁₉H₃₀O. The IUPAC name of this chemical is (5R,8R,9S,10S,13S,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one. With the CAS registry number 963-74-6 and EINECS 213-516-8, it is also named as 17-Oxo-5alpha-androstane. The product's category is Steroids.

The other characteristics of Androstan-17-one, (5a)- can be summarized as: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.8; (4)ACD/LogD (pH 7.4): 5.8; (5)ACD/BCF (pH 5.5): 14963.33; (6)ACD/BCF (pH 7.4): 14963.33; (7)ACD/KOC (pH 5.5): 33890.13; (8)ACD/KOC (pH 7.4): 33890.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 81.9 cm³; (14)Molar Volume: 270.6 cm³; (15)Polarizability: 32.46×10^-24 cm³; (16)Surface Tension: 35.9 dyne/cm; (17)Enthalpy of Vaporization: 61.51 kJ/mol; (18)Vapour Pressure: 1.27E-05 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 274.229666; (21)MonoIsotopic Mass: 274.229666; (22)Topological Polar Surface Area: 17.1; (23)Heavy Atom Count: 20; (24)Defined Atom StereoCenter Count: 6.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C2[C@]1(CC[C@H]3[C@H]([C@@H]1CC2)CC[C@H]4CCCC[C@]34C)C
2. InChI:InChI=1/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
3. InChIKey:YJDYCULVYZDESB-HKQXQEGQBD