Octadecyl docos-13-enoate
TL;DR: Octadecyl docos-13-enoate (CAS 86601-84-5) is a chemical compound with molecular formula C40H78O2 and molecular weight 590.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl docos-13-enoate
Also Known As: Stearyl erucate, 13-Docosenoic acid, octadecyl ester
| Molecular Formula | C40H78O2 |
|---|---|
| Molecular Weight | 590.60 g/mol |
| LogP | 14.389 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 36 |
| Exact Mass | 590.60016 |
| Heavy Atoms | 42 |
| Complexity | 525.73157 |
Chemical Identifiers
| CAS Number | 86601-84-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC |
Product Overview
Octadecyl docos-13-enoate (CAS 86601-84-5), with molecular formula C40H78O2 and molecular weight 590.60 g/mol. IUPAC: octadecyl docos-13-enoate.
Chemical Property Profile of Octadecyl docos-13-enoate
Property Insights of Octadecyl docos-13-enoate
The XLogP value of 14.389 indicates that Octadecyl 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, Octadecyl docos-13-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 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 Octadecyl docos-13-enoate?
The CAS number of Octadecyl docos-13-enoate is 86601-84-5.
What is the molecular formula of Octadecyl docos-13-enoate?
The molecular formula of Octadecyl docos-13-enoate is C40H78O2.
What is the molecular weight of Octadecyl docos-13-enoate?
The molecular weight of Octadecyl docos-13-enoate is 590.60 g/mol.
Where can I buy Octadecyl docos-13-enoate?
You can request a quote for Octadecyl 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 Octadecyl docos-13-enoate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl docos-13-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.