CAS No.1256-86-6,Cholesterol sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1256-86-6
Name:	Cholesterol sulfate
Article Data:	10

Formula:	C₂₇H₄₆O₄S
Molecular Weight:	466.726
Synonyms:	Cholesterol,hydrogen sulfate (7CI,8CI);5-Cholesten-3b-yl sulfate;Cholest-5-en-3b-ol sulfate;Cholesterol 3-sulfate;Cholesterolsulfate;Cholesteryl sulfate;cholest-5-en-3-ol, hydrogen sulfate, (3β)-;Cholesterol hydrogen sulfate;
Density:	1.12 g/cm³
PSA:	71.98000
LogP:	8.29660

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Specification

The Cholesterol sulfate, with the CAS registry number 1256-86-6, has the systematic name of (3β)-cholest-5-en-3-yl hydrogen sulfate. It is also called Cholesterol hydrogen sulfate, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₂₇H₄₆O₄S.

The characteristics of Cholesterol sulfate are as followings: (1)ACD/LogP: 10.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.64; (4)ACD/LogD (pH 7.4): 6.64; (5)ACD/BCF (pH 5.5): 9473.54; (6)ACD/BCF (pH 7.4): 9473.54; (7)ACD/KOC (pH 5.5): 2473.09; (8)ACD/KOC (pH 7.4): 2473.09; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 60.98 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 130.53 cm³; (15)Molar Volume: 416.4 cm³; (16)Polarizability: 51.74×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.12 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
(3)InChIKey: BHYOQNUELFTYRT-DPAQBDIFBL