Cholesteryl hydrocinnamate
TL;DR: Cholesteryl hydrocinnamate (CAS 14914-99-9) is a chemical compound with molecular formula C36H54O2 and molecular weight 518.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,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] 3-phenylpropanoate
Also Known As: Cholesteryl hydrocinnamate, Cholesterolhydrocinnamate, Cholesterol Hydrocinnamate, Cholest-5-ene-3-beta-yl dihydrocinnamate, cholest-5-en-3-yl 3-phenylpropanoate
| Molecular Formula | C36H54O2 |
|---|---|
| Molecular Weight | 518.41 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 518.41235 |
| Heavy Atoms | 38 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 14914-99-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)CCC5=CC=CC=C5)C)C |
| InChIKey | KPNKAGLPVPTLGB-WPAWQYJCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesteryl hydrocinnamate (CAS 14914-99-9), with molecular formula C36H54O2 and molecular weight 518.41 g/mol. IUPAC: [(8S,9S,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] 3-phenylpropanoate.
Chemical Property Profile of Cholesteryl hydrocinnamate
Property Insights of Cholesteryl hydrocinnamate
The XLogP value of 11.0 indicates that Cholesteryl hydrocinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesteryl hydrocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl hydrocinnamate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesteryl hydrocinnamate?
The CAS number of Cholesteryl hydrocinnamate is 14914-99-9.
What is the molecular formula of Cholesteryl hydrocinnamate?
The molecular formula of Cholesteryl hydrocinnamate is C36H54O2.
What is the molecular weight of Cholesteryl hydrocinnamate?
The molecular weight of Cholesteryl hydrocinnamate is 518.41 g/mol.
Where can I buy Cholesteryl hydrocinnamate?
You can request a quote for Cholesteryl hydrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl hydrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl hydrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.