Benzalkonium
TL;DR: Benzalkonium (CAS 47309-59-1) is a chemical compound with molecular formula C22H40N+ and molecular weight 318.31607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-dimethyl-tridecylazanium
Also Known As: Benzalkonium, Benzalkonium ion, Benzalkonium cation, Youke an, ShieldForce AFS
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H40N+ |
| Molecular Weight | 318.31607 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 14 |
| Exact Mass | 318.31607 Da |
| Heavy Atoms | 23 |
| Complexity | 253.0 |
| SMILES | CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 |
| InChIKey | VVZBFOKBSDGVGZ-UHFFFAOYSA-N |
Product Description
Applications: Benzalkonium is used in peptide synthesis and amino acid derivative chemistry, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzalkonium (CAS 47309-59-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzalkonium is a amino acid derivative identified by CAS number 47309-59-1 and the molecular formula C22H40N+ and a molecular weight of 318.32 g/mol. It is also known as Benzalkonium and Benzalkonium ion.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 318.31607 g/mol.
What are the applications of Benzalkonium?
Benzalkonium is used in peptide synthesis and amino acid derivative chemistry, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzalkonium (CAS 47309-59-1) with custom synthesis available from milligram...
Where can I buy Benzalkonium?
You can request a quote for Benzalkonium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzalkonium?
Yes, CoreyChem provides custom synthesis services for Benzalkonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.