Octadec-9-enyl docosanoate
TL;DR: Octadec-9-enyl docosanoate (CAS 66161-52-2) 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.
octadec-9-enyl docosanoate
Also Known As: Oleyl behenate, Docosanoic acid, (9Z)-9-octadecenyl ester
| Molecular Formula | C40H78O2 |
|---|---|
| Molecular Weight | 590.60 g/mol |
| LogP | 18.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 37 |
| Exact Mass | 590.60016 |
| Heavy Atoms | 42 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 66161-52-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC |
| InChIKey | AOXNDJKHXBKZBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadec-9-enyl docosanoate (CAS 66161-52-2), with molecular formula C40H78O2 and molecular weight 590.60 g/mol. IUPAC: octadec-9-enyl docosanoate.
Chemical Property Profile of Octadec-9-enyl docosanoate
Property Insights of Octadec-9-enyl docosanoate
The XLogP value of 18.6 indicates that Octadec-9-enyl docosanoate 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-enyl docosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadec-9-enyl docosanoate 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-enyl docosanoate?
The CAS number of Octadec-9-enyl docosanoate is 66161-52-2.
What is the molecular formula of Octadec-9-enyl docosanoate?
The molecular formula of Octadec-9-enyl docosanoate is C40H78O2.
What is the molecular weight of Octadec-9-enyl docosanoate?
The molecular weight of Octadec-9-enyl docosanoate is 590.60 g/mol.
Where can I buy Octadec-9-enyl docosanoate?
You can request a quote for Octadec-9-enyl docosanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadec-9-enyl docosanoate?
Yes, KEHONG BIO provides custom synthesis services for Octadec-9-enyl docosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.