Octyl docosanoate
TL;DR: Octyl docosanoate (CAS 5979-98-6) is a chemical compound with molecular formula C30H60O2 and molecular weight 452.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl docosanoate
Also Known As: Octyl docosanoate, octyldocosanoate, 1-Octyl docosanoate, Docosanoic acid, octyl ester, Docosanoic acid,octylester
| Molecular Formula | C30H60O2 |
|---|---|
| Molecular Weight | 452.46 g/mol |
| LogP | 14.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 28 |
| Exact Mass | 452.45932 |
| Heavy Atoms | 32 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 5979-98-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC |
| InChIKey | MWSXIWIELAIOBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl docosanoate (CAS 5979-98-6), with molecular formula C30H60O2 and molecular weight 452.46 g/mol. IUPAC: octyl docosanoate.
Chemical Property Profile of Octyl docosanoate
Property Insights of Octyl docosanoate
The XLogP value of 14.1 indicates that Octyl 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, Octyl docosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl docosanoate?
The CAS number of Octyl docosanoate is 5979-98-6.
What is the molecular formula of Octyl docosanoate?
The molecular formula of Octyl docosanoate is C30H60O2.
What is the molecular weight of Octyl docosanoate?
The molecular weight of Octyl docosanoate is 452.46 g/mol.
Where can I buy Octyl docosanoate?
You can request a quote for Octyl docosanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl docosanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl docosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.