CAS No.145-15-3,4-PREGNEN-20-BETA-OL-3-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	145-15-3
Name:	4-PREGNEN-20-BETA-OL-3-ONE
Article Data:	36

Formula:	C₂₁H₃₂O₂
Molecular Weight:	316.484
Synonyms:	Pregn-4-en-3-one,20b-hydroxy- (8CI);20b-Dihydroprogesterone;20b-Hydroxy-D4-pregnen-3-one;20b-Hydroxypregn-4-en-3-one;20b-Hydroxyprogesterone;20b-Progerol;4-Pregnene-20b-ol-3-one;Pregn-4-en-20b-ol-3-one;Pregn-4-ene-20b-hydroxy-3-one;Progesterol-20b;D4-Pregnen-20b-ol-3-one;D4-Pregnene-20b-ol-3-one;4-Pregnen-20-beta-ol-3-one;
EINECS:	205-650-0
Density:	1.09 g/cm³
Melting Point:	158-160 °C
Boiling Point:	451.7 °C at 760 mmHg
Flash Point:	192.4 °C
PSA:	37.30000
LogP:	4.51530

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Specification

This chemical is called Pregn-4-en-3-one, 20-hydroxy-, (20R)-, and its systematic name is (20R)-20-hydroxypregn-4-en-3-one. With the molecular formula of C₂₁H₃₂O₂, its molecular weight is 316.48. The CAS registry number of this chemical is 145-15-3.

Other characteristics of the Pregn-4-en-3-one, 20-hydroxy-, (20R)- can be summarised as followings: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 4.35; (5)ACD/BCF (pH 5.5): 1199.56; (6)ACD/BCF (pH 7.4): 1199.56; (7)ACD/KOC (pH 5.5): 5566.25; (8)ACD/KOC (pH 7.4): 5566.25; (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: 1.549; (14)Molar Refractivity: 92.35 cm³; (15)Molar Volume: 290 cm³; (16)Polarizability: 36.61×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 192.4 °C; (20)Enthalpy of Vaporization: 82.01 kJ/mol; (21)Boiling Point: 451.7 °C at 760 mmHg; (22)Vapour Pressure: 4.65E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@H](CC[C@H]3[C@@H]1CC2)[C@H](O)C)C)(C)CC4
2.InChI: InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
3.InChIKey: RWBRUCCWZPSBFC-SJOKZOANBK