CAS No.32832-01-2,[(3S,8S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,4-dichlorobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32832-01-2
Name:	[(3S,8S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,4-dichlorobenzoate

Formula:	C₃₄H₄₈Cl₂O₂
Molecular Weight:	559.65
Synonyms:	Cholesterol, 2,4-dichlorobenzoate (8CI);Cholesteryl 2,4-dichlorobenzoate;
EINECS:	251-248-3
Density:	1.13 g/cm³
Melting Point:	126 °C
Boiling Point:	600.4 °C at 760 mmHg
Flash Point:	153.7 °C

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Specification

The Cholest-5-en-3beta-yl 2,4-dichlorobenzoate, with CAS registry number 32832-01-2, belongs to the following product categories: (1)Organics; (2)Cholesteryl Compounds (Liquid Crystals); (3)Functional Materials; (4)Liquid Crystals & Related Compounds. It has the systematic name of (3beta)-cholest-5-en-3-yl 2,4-dichlorobenzoate. And the chemical formula of this chemical is C₃₄H₄₈Cl₂O₂. What's more, its EINECS is 251-248-3.

Physical properties of Cholest-5-en-3beta-yl 2,4-dichlorobenzoate: (1)ACD/LogP: 13.54; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.54; (4)ACD/LogD (pH 7.4): 13.54; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 159.29 cm³; (15)Molar Volume: 493 cm³; (16)Polarizability: 63.14×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 153.7 °C; (20)Enthalpy of Vaporization: 89.37 kJ/mol; (21)Boiling Point: 600.4 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(c(Cl)c1)C(=O)O[C@@H]5C/C4=C/C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)[C@@]4(C)CC5
(2)InChI: InChI=1/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30+,33+,34-/m1/s1
(3)InChIKey: NZZFKZMKJPWVDL-XBGNAKIGBR
(4)Std. InChI: InChI=1S/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30+,33+,34-/m1/s1
(5)Std. InChIKey: NZZFKZMKJPWVDL-XBGNAKIGSA-N