CAS No.303-43-5,Cholesteryl oleate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	303-43-5
Name:	Cholesteryl oleate
Article Data:	24
Cas Database

Formula:	C₄₅H₇₈O₂
Molecular Weight:	651.113
Synonyms:	Cholest-5-en-3-ol(3b)-, (9Z)-9-octadecenoate (9CI);Cholest-5-en-3-ol (3b)-, 9-octadecenoate, (Z)-;Cholesterol, oleate (6CI,8CI);Oleic acid,cholesteryl ester (6CI);Cholest-5-en-3-b-yl oleate;Cholesterol 3b-oleate;Cholesteryl cis-9-octadecenoate;Cholesteryloleate;Cholesteryl oleic ester;NSC 18186;Oleoylcholesterol;Yofco LC-CO-D;
EINECS:	206-142-1
Density:	0.95 g/cm³
Melting Point:	44-47 °C(lit.)
Boiling Point:	675.4 °C at 760 mmHg
Flash Point:	362.9 °C
Solubility:	chloroform: 0.1 g/mL, clear, colorless
Appearance:	white to off-white crystalline powder
PSA:	26.30000
LogP:	13.97710

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Specification

This chemical is called Cholesteryl oleate, and its systematic name is Cholest-5-en-3-ol (3beta)-, (9Z)-9-octadecenoate. With the molecular formula of C₄₅H₇₈O₂, its molecular weight is 651.10 . The CAS registry number of this chemical is 303-43-5. Additionally, its product categories are Cholesteryl Compounds (Liquid Crystals); Functional Materials; Liquid Crystals & Related Compounds.

Other characteristics of the Cholesteryl oleate can be summarised as followings: (1)ACD/LogP: 18.69; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 18.69; (4)ACD/LogD (pH 7.4): 18.69; (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: 22; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 203.56 cm³; (15)Molar Volume: 679.5 cm³; (16)Polarizability: 80.69×10^-24cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 362.9 °C; (20)Enthalpy of Vaporization: 99.18 kJ/mol; (21)Boiling Point: 675.4 °C at 760 mmHg; (22)Vapour Pressure: 4.2E-18 mmHg at 25°C.

Production method of this chemical: The Cholesteryl oleate could be obtained by the reactants of octadec-9c-enoic acid and cholest-5-en-3β-ol. This reaction needs the solvent of hexane. The yield is 24 %. In addition, this reaction should be taken for 3 days at the temperature of 30 °C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(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)CCCCCCC\C=C/CCCCCCCC
2.InChI: InChI=1/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
3.InChIKey: RJECHNNFRHZQKU-RMUVNZEABL