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2740-52-5

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Basic Information
CAS No.: 2740-52-5
Name: Anagestone
Molecular Structure:
Molecular Structure of 2740-52-5 (Anagestone)
Formula: C22H34O2
Molecular Weight: 330.511
Synonyms: Pregn-4-en-20-one,17-hydroxy-6a-methyl-(7CI,8CI);17-Hydroxy-6a-methylpregn-4-en-20-one;Anagestone;(6α)-17-hydroxy-6-methylpregn-4-en-20-one;17-Hydroxy-6α-methyl-4-pregnen-20-one;6α-Methyl-4-pregnen-17a-ol-20-one;pregn-4-en-20-one, 17-hydroxy-6-methyl-, (6α)-;Pregn-4-en-20-one, 17-hydroxy-6α-methyl-;
Density: 1.08 g/cm3
Melting Point: 190-193°
Boiling Point: 444.7 °C at 760 mmHg
Flash Point: 189.5 °C
PSA: 37.30000
LogP: 4.90540
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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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Specification

The Pregn-4-en-20-one,17-hydroxy-6-methyl-, (6α)-, with the CAS registry number 2740-52-5, has the systematic name and IUPAC name of (6α)-17-hydroxy-6-methylpregn-4-en-20-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C22H34O2.

The characteristics of Pregn-4-en-20-one,17-hydroxy-6-methyl-, (6α)- are as followings: (1)ACD/LogP: 5.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.83; (4)ACD/LogD (pH 7.4): 5.83; (5)ACD/BCF (pH 5.5): 15828.63; (6)ACD/BCF (pH 7.4): 15828.6; (7)ACD/KOC (pH 5.5): 35281.64; (8)ACD/KOC (pH 7.4): 35281.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 97.01 cm3; (15)Molar Volume: 306 cm3; (16)Polarizability: 38.45×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 189.5 °C; (20)Enthalpy of Vaporization: 81.07 kJ/mol; (21)Boiling Point: 444.7 °C at 760 mmHg; (22)Vapour Pressure: 8.94E-10 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C([C@@]1(O)CC[C@H]2[C@H]4[C@H](CC[C@]12C)[C@@]3(\C(=C/CCC3)[C@@H](C)C4)C)C
(2)InChI: InChI=1/C22H34O2/c1-14-13-16-18(20(3)10-6-5-7-17(14)20)8-11-21(4)19(16)9-12-22(21,24)15(2)23/h7,14,16,18-19,24H,5-6,8-13H2,1-4H3/t14-,16+,18-,19-,20-,21-,22-/m0/s1
(3)InChIKey: GAIHSQSRHYQICG-DACBVQKSBU