Androst-4-en-3-one,4-chloro-17-hydroxy-, (17b)- (1093-58-9)

The Clostebol with cas registry number of 1093-58-9, is also called Androst-4-en-3-one,4-chloro-17b-hydroxy- (8CI) , Testosterone,4-chloro- (6CI) .

Preparation of Clostebol :(1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 360.14; (6)ACD/BCF (pH 7.4): 360.14; (7)ACD/KOC (pH 5.5): 2352.5; (8)ACD/KOC (pH 7.4): 2352.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 87.71 cm³; (15)Molar Volume: 268.1 cm³; (16)Polarizability: 34.77×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Enthalpy of Vaporization: 81.57 kJ/mol; (19)Vapour Pressure: 6.3E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Clostebol has limited evidence of a carcinogenic effect. When use it, wear suitable protective clothing and gloves .

You can still convert the following datas into molecular structure: (1)SMILES:O=C4C(\Cl)=C2/[C@]([C@H]1CC[C@@]3([C@@H](O)CC[C@H]3[C@@H]1CC2)C)(C)CC4; (2)InChI:InChI=1/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1; (3)InChIKey:KCZCIYZKSLLNNH-FBPKJDBXBY; (4)Std. InChI:InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1; (5)Std. InChIKey:KCZCIYZKSLLNNH-FBPKJDBXSA-N.