Cholesteryl octadeca-9,12-dienoate
TL;DR: Cholesteryl octadeca-9,12-dienoate (CAS 604-33-1) is a chemical compound with molecular formula C45H76O2 and molecular weight 648.58 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] octadeca-9,12-dienoate
Also Known As: Cholesteryl linoleate, Cholesterol Linoleate, Cholesterol, linoleate, cholesteryl octadeca-9,12-dienoate, 3beta-Hydroxy-5-cholestene 3-linolelaidate
| Molecular Formula | C45H76O2 |
|---|---|
| Molecular Weight | 648.58 g/mol |
| LogP | 15.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 648.58453 |
| Heavy Atoms | 47 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 604-33-1 |
|---|---|
| SMILES | CCCCCC=CCC=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 | NAACPBBQTFFYQB-XNTGVSEISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesteryl octadeca-9,12-dienoate (CAS 604-33-1), with molecular formula C45H76O2 and molecular weight 648.58 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] octadeca-9,12-dienoate.
Chemical Property Profile of Cholesteryl octadeca-9,12-dienoate
Property Insights of Cholesteryl octadeca-9,12-dienoate
The XLogP value of 15.9 indicates that Cholesteryl octadeca-9,12-dienoate 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 octadeca-9,12-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl octadeca-9,12-dienoate 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 octadeca-9,12-dienoate?
The CAS number of Cholesteryl octadeca-9,12-dienoate is 604-33-1.
What is the molecular formula of Cholesteryl octadeca-9,12-dienoate?
The molecular formula of Cholesteryl octadeca-9,12-dienoate is C45H76O2.
What is the molecular weight of Cholesteryl octadeca-9,12-dienoate?
The molecular weight of Cholesteryl octadeca-9,12-dienoate is 648.58 g/mol.
Where can I buy Cholesteryl octadeca-9,12-dienoate?
You can request a quote for Cholesteryl octadeca-9,12-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl octadeca-9,12-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl octadeca-9,12-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.