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67-81-2

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Basic Information
CAS No.: 67-81-2
Name: METHYLTESTOSTERONE
Molecular Structure:
Molecular Structure of 67-81-2 (METHYLTESTOSTERONE)
Formula: C25H38O2
Molecular Weight: 370.576
Synonyms: Androsta-3,5-dien-17b-ol,3-(cyclopentyloxy)-17-methyl- (6CI,7CI,8CI);17alpha-Methyltestosterone 3-cyclopentyl enol ether;3-(Cyclopentyloxy)-17-methyl-androsta-3,5-dien-17b-ol;Pandrocine;Penmestrol [INN:DCF];RP 12222;Penmesterolo;Androsta-3,5-dien-17-ol,3-(cyclopentyloxy)-17-methyl-, (17b)- (9CI);
EINECS: 200-670-6
Density: 1.09 g/cm3
Melting Point: 162-168oC(lit.)
Boiling Point: 509.2 °C at 760 mmHg
Flash Point: 219.6 °C
Hazard Symbols: T
Risk Codes: 45-63
Safety: 53-36/37-45
PSA: 29.46000
LogP: 6.15320
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Specification

The Penmesterol, with the CAS registry number 67-81-2, is also known as 17alpha-Methyltestosterone 3-cyclopentyl enol ether. Its EINECS number is 200-670-6. This chemical's molecular formula is C25H38O2 and formula weight is 370.568. What's more, its systematic name is (17β)-3-(cyclopentyloxy)-17-methylandrosta-3,5-dien-17-ol.

Physical properties of Penmesterol are: (1)ACD/LogP: 6.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.72; (4)ACD/BCF (pH 5.5): 75210.57; (5)ACD/KOC (pH 5.5): 107651.62; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 29.46 Å2; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 110.17 cm3; (12)Molar Volume: 338.1 cm3; (13)Surface Tension: 43.8 dyne/cm; (14)Density: 1.09 g/cm3; (15)Flash Point: 219.6 °C; (16)Enthalpy of Vaporization: 89.76 kJ/mol; (17)Boiling Point: 509.2 °C at 760 mmHg; (18)Vapour Pressure: 1.69E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]43CCC(=C\C4=C\C[C@@H]2[C@@H]3CC[C@]1(C)[C@@](C)(O)CC[C@H]12)/OC5CCCC5
(2)InChI: InChI=1S/C25H38O2/c1-23-13-10-19(27-18-6-4-5-7-18)16-17(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h8,16,18,20-22,26H,4-7,9-15H2,1-3H3/t20-,21+,22+,23+,24+,25+/m1/s1
(3)InChIKey: ZUBDXGHKAAMAAA-RFXJPFPRSA-N