Hexadecyl butyrate
TL;DR: Hexadecyl butyrate (CAS 6221-99-4) is a chemical compound with molecular formula C20H40O2 and molecular weight 312.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl butanoate
Also Known As: Hexadecyl butyrate, hexadecyl butanoate, cetyl butyrate, n-Hexadecyl butyrate, Butanoic acid, hexadecyl ester
| Molecular Formula | C20H40O2 |
|---|---|
| Molecular Weight | 312.30 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 312.30283 |
| Heavy Atoms | 22 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 6221-99-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCC |
| InChIKey | NJVKAQGGBANCKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl butyrate (CAS 6221-99-4), with molecular formula C20H40O2 and molecular weight 312.30 g/mol. IUPAC: hexadecyl butanoate.
Chemical Property Profile of Hexadecyl butyrate
Property Insights of Hexadecyl butyrate
The XLogP value of 8.6 indicates that Hexadecyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadecyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl butyrate 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 Hexadecyl butyrate?
The CAS number of Hexadecyl butyrate is 6221-99-4.
What is the molecular formula of Hexadecyl butyrate?
The molecular formula of Hexadecyl butyrate is C20H40O2.
What is the molecular weight of Hexadecyl butyrate?
The molecular weight of Hexadecyl butyrate is 312.30 g/mol.
Where can I buy Hexadecyl butyrate?
You can request a quote for Hexadecyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.