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Cholesteryl cinnamate

Cholesteryl cinnamate structure

CAS No:
1990-11-0
Formula:
C36H52O2
Chemical Name:
Cholesteryl cinnamate
Synonyms:
Cholest-5-en-3-ol (3β)-,3-(3-phenyl-2-propenoate);Cholesterol,cinnamate;Cholest-5-en-3-ol (3β)-,3-phenyl-2-propenoate;Cinnamic acid,cholesteryl ester;Cholesteryl cinnamate;55066-91-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Cholesteryl cinnamate Basic Attributes

Molecular Weight：

516.8

Exact Mass：

516.80

EC Number：

217-869-9

Characteristics

PSA：

26.3

XLogP3：

12.72

Density：

1.0±0.1 g/cm3

Melting Point：

156 °C

Boiling Point：

595.9±29.0 °C at 760 mmHg

Flash Point：

250.4±21.7 °C

Refractive Index：

1.552

Vapor Pressure：

3.65E-14mmHg at 25°C

Computed Properties

Molecular Weight:516.8
XLogP3:11.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:516.396730897
Monoisotopic Mass:516.396730897
Topological Polar Surface Area:26.3
Heavy Atom Count:38
Complexity:878
Defined Atom Stereocenter Count:8
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes