Cetylpyridinium Bromide
TL;DR: Cetylpyridinium Bromide (CAS 140-72-7) is a chemical compound with molecular formula C21H38BrN and molecular weight 383.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexadecylpyridin-1-ium bromide
Also Known As: CETYLPYRIDINIUM BROMIDE, Hexadecylpyridinium bromide, 1-Hexadecylpyridinium bromide, Cetapharm, Nitrogenol
| Molecular Formula | C21H38BrN |
|---|---|
| Molecular Weight | 383.22 g/mol |
| LogP | 3.46 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Exact Mass | 383.21875 |
| Heavy Atoms | 23 |
| Complexity | 208.0 |
| Melting Point | 64.5 °C |
| Solubility | Soluble in acetone, ethanol, and chloroform |
Chemical Identifiers
| CAS Number | 140-72-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-] |
| InChIKey | DVBJBNKEBPCGSY-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetylpyridinium Bromide (CAS 140-72-7), with molecular formula C21H38BrN and molecular weight 383.22 g/mol. IUPAC: 1-hexadecylpyridin-1-ium bromide.
Chemical Property Profile of Cetylpyridinium Bromide
Property Insights of Cetylpyridinium Bromide
The XLogP value of 3.46 indicates that Cetylpyridinium Bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, Cetylpyridinium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetylpyridinium Bromide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cetylpyridinium Bromide?
The CAS number of Cetylpyridinium Bromide is 140-72-7.
What is the molecular formula of Cetylpyridinium Bromide?
The molecular formula of Cetylpyridinium Bromide is C21H38BrN.
What is the molecular weight of Cetylpyridinium Bromide?
The molecular weight of Cetylpyridinium Bromide is 383.22 g/mol.
Where can I buy Cetylpyridinium Bromide?
You can request a quote for Cetylpyridinium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetylpyridinium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Cetylpyridinium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.