Cholesteryl octadec-9-enoate
TL;DR: Cholesteryl octadec-9-enoate (CAS 19485-76-8) is a chemical compound with molecular formula C45H78O2 and molecular weight 650.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,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] octadec-9-enoate
Also Known As: Cholesteryl oleate, Cholesterol Oleate, cholesteryloleate, Oleoylcholesterol, Cholesteroyl-oleate
| Molecular Formula | C45H78O2 |
|---|---|
| Molecular Weight | 650.60 g/mol |
| LogP | 16.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 650.60016 |
| Heavy Atoms | 47 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 19485-76-8 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChIKey | RJECHNNFRHZQKU-XNTGVSEISA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesteryl octadec-9-enoate (CAS 19485-76-8), with molecular formula C45H78O2 and molecular weight 650.60 g/mol. IUPAC: [(3S,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] octadec-9-enoate.
Chemical Property Profile of Cholesteryl octadec-9-enoate
Property Insights of Cholesteryl octadec-9-enoate
The XLogP value of 16.6 indicates that Cholesteryl octadec-9-enoate 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 octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl octadec-9-enoate 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 octadec-9-enoate?
The CAS number of Cholesteryl octadec-9-enoate is 19485-76-8.
What is the molecular formula of Cholesteryl octadec-9-enoate?
The molecular formula of Cholesteryl octadec-9-enoate is C45H78O2.
What is the molecular weight of Cholesteryl octadec-9-enoate?
The molecular weight of Cholesteryl octadec-9-enoate is 650.60 g/mol.
Where can I buy Cholesteryl octadec-9-enoate?
You can request a quote for Cholesteryl octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.