Cetyl hexanoate
TL;DR: Cetyl hexanoate (CAS 14331-11-4) is a chemical compound with molecular formula C22H44O2 and molecular weight 340.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl hexanoate
Also Known As: Hexadecyl hexanoate, cetyl hexanoate, Cetyl caproate, 1-Hexadecyl caproate, 1-Hexadecanol, hexanoate
| Molecular Formula | C22H44O2 |
|---|---|
| Molecular Weight | 340.33 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 340.33414 |
| Heavy Atoms | 24 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 14331-11-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCCCC |
| InChIKey | SDPBXXCJVDQPIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetyl hexanoate (CAS 14331-11-4), with molecular formula C22H44O2 and molecular weight 340.33 g/mol. IUPAC: hexadecyl hexanoate.
Chemical Property Profile of Cetyl hexanoate
Property Insights of Cetyl hexanoate
The XLogP value of 9.8 indicates that Cetyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cetyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetyl hexanoate 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 Cetyl hexanoate?
The CAS number of Cetyl hexanoate is 14331-11-4.
What is the molecular formula of Cetyl hexanoate?
The molecular formula of Cetyl hexanoate is C22H44O2.
What is the molecular weight of Cetyl hexanoate?
The molecular weight of Cetyl hexanoate is 340.33 g/mol.
Where can I buy Cetyl hexanoate?
You can request a quote for Cetyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Cetyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.