Cholest-5-en-3-ol (3b)-, docosanoate


Chemical Name: Cholest-5-en-3-ol (3b)-, docosanoate
CAS Number: 61510-09-6
Product Number: AG003OV8(AGN-PC-0T0NBU)
Synonyms:
MDL No:
Molecular Formula: C49H88O2
Molecular Weight: 709.2218

Identification/Properties


Properties
MP:
87.5-88℃(Solv: ethyl ether (60-29-7); ethanol (64-17-5))
Form:
Solid
Computed Properties
Molecular Weight:
709.241g/mol
XLogP3:
19.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
27
Exact Mass:
708.678g/mol
Monoisotopic Mass:
708.678g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
51
Formal Charge:
0
Complexity:
996
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
8
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Cholest-5-en-3-ol (3β)-, docosanoate, also known as docosanoic acid cholesteryl ester, serves as a crucial building block in chemical synthesis due to its unique chemical structure and properties. This compound is commonly utilized as a precursor in the production of various pharmaceuticals, cosmetics, and lipid-based formulations. Its long carbon chain imparts stability and compatibility in formulations, making it an ideal candidate for drug delivery systems and emulsifiers. In chemical synthesis, Cholest-5-en-3-ol (3β)-, docosanoate can be used to synthesize novel lipid derivatives, surfactants, and bioactive compounds with enhanced properties for a range of applications in the biomedical and personal care industries.