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| CAS No.: | 5785-58-0 |
|---|---|
| Name: | Methylclostebol |
| Molecular Structure: | |
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| Formula: | C20H29ClO2 |
| Molecular Weight: | 336.902 |
| Synonyms: | Androst-4-en-3-one, 4-chloro-17β-hydroxy-17-methyl- (7CI,8CI);Testosterone, 4-chloro-17-methyl- (6CI);4-Chloro-17α-methyltestosterone;4-Chloro-17α-methyl-17β-hydroxy-4-androsten-3-one;NSC 18307; |
| Density: | 1.185 g/cm3 |
| Melting Point: | 147-148 °C |
| Boiling Point: | 449.947 °C at 760 mmHg |
| Flash Point: | 225.92 °C |
| PSA: | 37.30000 |
| LogP: | 4.83580 |
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- Total:21 Page 1 of 1 1
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Specification
The Methylclostebol, with the CAS registry number 5785-58-0, is also known as 4-Chloro-17α-methyl-17β-hydroxy-4-androsten-3-one. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Steroids. This chemical's molecular formula is C20H29ClO2 and molecular weight is 336.90. What's more, its systematic name is (17β)-4-Chloro-17-hydroxy-17-methylandrost-4-en-3-one.
Physical properties of Methylclostebol are: (1)ACD/LogP: 4.021; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 669.47; (6)ACD/BCF (pH 7.4): 669.47; (7)ACD/KOC (pH 5.5): 3666.58; (8)ACD/KOC (pH 7.4): 3666.58; (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: 1.564; (14)Molar Refractivity: 92.379 cm3; (15)Molar Volume: 284.191 cm3; (16)Polarizability: 36.622×10-24cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.185 g/cm3; (19)Flash Point: 225.92 °C; (20)Enthalpy of Vaporization: 81.771 kJ/mol; (21)Boiling Point: 449.947 °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=C4C(\Cl)=C3/[C@]([C@H]2CC[C@]1([C@@H](CC[C@@]1(O)C)[C@@H]2CC3)C)(C)CC4
(2)Std. InChI: InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
(3)Std. InChIKey: SOMOGWLYTLQJGT-XMUHMHRVSA-N