Benzalkonium Chloride
TL;DR: Benzalkonium Chloride (CAS 8045-21-4) is a chemical compound with molecular formula C22H40ClN and molecular weight 353.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-tridecylazanium chloride
Also Known As: BENZALKONIUM CHLORIDE, pentonium, Alpagelle, Zephiran, Fundamentals
| Molecular Formula | C22H40ClN |
|---|---|
| Molecular Weight | 353.28 g/mol |
| LogP | 3.578 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 14 |
| Exact Mass | 353.28494 |
| Heavy Atoms | 24 |
| Complexity | 374.81613 |
Chemical Identifiers
| CAS Number | 8045-21-4 |
|---|---|
| SMILES | CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
Product Overview
Benzalkonium Chloride (CAS 8045-21-4), with molecular formula C22H40ClN and molecular weight 353.28 g/mol. IUPAC: benzyl-dimethyl-tridecylazanium chloride.
Chemical Property Profile of Benzalkonium Chloride
Property Insights of Benzalkonium Chloride
The XLogP value of 3.578 indicates that Benzalkonium Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzalkonium Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzalkonium Chloride has 0 hydrogen bond donor(s) and 0 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 Benzalkonium Chloride?
The CAS number of Benzalkonium Chloride is 8045-21-4.
What is the molecular formula of Benzalkonium Chloride?
The molecular formula of Benzalkonium Chloride is C22H40ClN.
What is the molecular weight of Benzalkonium Chloride?
The molecular weight of Benzalkonium Chloride is 353.28 g/mol.
Where can I buy Benzalkonium Chloride?
You can request a quote for Benzalkonium Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzalkonium Chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzalkonium Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.