Octadec-9-en-1-yl docos-13-enoate
TL;DR: Octadec-9-en-1-yl docos-13-enoate (CAS 143485-69-2) is a chemical compound with molecular formula C40H76O2 and molecular weight 588.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadec-9-enyl docos-13-enoate
Also Known As: Oleyl erucate, PELEMOL OE, Octadec-9-en-1-yl docos-13-enoate, 13-Docosenoic acid, 9-octadecenyl ester, (Z)-Octadec-9-enyl (Z)-docos-13-enoate
| Molecular Formula | C40H76O2 |
|---|---|
| Molecular Weight | 588.58 g/mol |
| LogP | 17.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 36 |
| Exact Mass | 588.58453 |
| Heavy Atoms | 42 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 143485-69-2 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC |
| InChIKey | SZAMSYKZCSDVBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadec-9-en-1-yl docos-13-enoate (CAS 143485-69-2), with molecular formula C40H76O2 and molecular weight 588.58 g/mol. IUPAC: octadec-9-enyl docos-13-enoate.
Chemical Property Profile of Octadec-9-en-1-yl docos-13-enoate
Property Insights of Octadec-9-en-1-yl docos-13-enoate
The XLogP value of 17.7 indicates that Octadec-9-en-1-yl docos-13-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, Octadec-9-en-1-yl docos-13-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadec-9-en-1-yl docos-13-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 Octadec-9-en-1-yl docos-13-enoate?
The CAS number of Octadec-9-en-1-yl docos-13-enoate is 143485-69-2.
What is the molecular formula of Octadec-9-en-1-yl docos-13-enoate?
The molecular formula of Octadec-9-en-1-yl docos-13-enoate is C40H76O2.
What is the molecular weight of Octadec-9-en-1-yl docos-13-enoate?
The molecular weight of Octadec-9-en-1-yl docos-13-enoate is 588.58 g/mol.
Where can I buy Octadec-9-en-1-yl docos-13-enoate?
You can request a quote for Octadec-9-en-1-yl docos-13-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadec-9-en-1-yl docos-13-enoate?
Yes, KEHONG BIO provides custom synthesis services for Octadec-9-en-1-yl docos-13-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.