Benzalkonium
TL;DR: Benzalkonium (CAS 47309-59-1) is a chemical compound with molecular formula C22H40N+ and molecular weight 318.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-tridecylazanium
Also Known As: Benzalkonium, Benzalkonium ion, Benzalkonium cation, Youke an, ShieldForce AFS
| Molecular Formula | C22H40N+ |
|---|---|
| Molecular Weight | 318.32 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 14 |
| Exact Mass | 318.31607 |
| Heavy Atoms | 23 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 47309-59-1 |
|---|---|
| SMILES | CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 |
| InChIKey | VVZBFOKBSDGVGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzalkonium (CAS 47309-59-1), with molecular formula C22H40N+ and molecular weight 318.32 g/mol. IUPAC: benzyl-dimethyl-tridecylazanium.
Chemical Property Profile of Benzalkonium
Property Insights of Benzalkonium
The XLogP value of 7.9 indicates that Benzalkonium 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzalkonium has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzalkonium?
The CAS number of Benzalkonium is 47309-59-1.
What is the molecular formula of Benzalkonium?
The molecular formula of Benzalkonium is C22H40N+.
What is the molecular weight of Benzalkonium?
The molecular weight of Benzalkonium is 318.32 g/mol.
Where can I buy Benzalkonium?
You can request a quote for Benzalkonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzalkonium?
Yes, KEHONG BIO provides custom synthesis services for Benzalkonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.