Cetylpyridinium acetate
TL;DR: Cetylpyridinium acetate (CAS 7439-73-8) is a chemical compound with molecular formula C23H41NO2 and molecular weight 363.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexadecylpyridin-1-ium acetate
Also Known As: CETYLPYRIDINIUM ACETATE, hexadecylpyridinium acetate, 1-hexadecylpyridin-1-ium acetate, Pyridinium, 1-hexadecyl-, acetate, 1-HEXADECYLPYRIDINIUM ACETATE
| Molecular Formula | C23H41NO2 |
|---|---|
| Molecular Weight | 363.31 g/mol |
| LogP | 5.21 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 363.31372 |
| Heavy Atoms | 26 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 7439-73-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CC(=O)[O-] |
| InChIKey | CBRUQZUHJAXNHS-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetylpyridinium acetate (CAS 7439-73-8), with molecular formula C23H41NO2 and molecular weight 363.31 g/mol. IUPAC: 1-hexadecylpyridin-1-ium acetate.
Chemical Property Profile of Cetylpyridinium acetate
Property Insights of Cetylpyridinium acetate
The XLogP value of 5.21 indicates that Cetylpyridinium acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, Cetylpyridinium acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetylpyridinium acetate 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 Cetylpyridinium acetate?
The CAS number of Cetylpyridinium acetate is 7439-73-8.
What is the molecular formula of Cetylpyridinium acetate?
The molecular formula of Cetylpyridinium acetate is C23H41NO2.
What is the molecular weight of Cetylpyridinium acetate?
The molecular weight of Cetylpyridinium acetate is 363.31 g/mol.
Where can I buy Cetylpyridinium acetate?
You can request a quote for Cetylpyridinium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetylpyridinium acetate?
Yes, KEHONG BIO provides custom synthesis services for Cetylpyridinium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.