Benzethonium
TL;DR: Benzethonium (CAS 10172-60-8) is a chemical compound with molecular formula C27H42NO2+ and molecular weight 412.32156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium
Also Known As: benzethonium, Inactisol, Sanizol, benzethonium chloride, Benzethonium ion
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H42NO2+ |
| Molecular Weight | 412.32156 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 412.32156 Da |
| Heavy Atoms | 30 |
| Complexity | 466.0 |
| Melting Point | 158-163 |
| Solubility | Soluble |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 |
| InChIKey | SIYLLGKDQZGJHK-UHFFFAOYSA-N |
Chemical Property Profile of Benzethonium
Property Insights of Benzethonium
The XLogP value of 6.7 indicates that Benzethonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzethonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzethonium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzethonium?
The CAS number of Benzethonium is 10172-60-8.
What is the molecular formula of Benzethonium?
The molecular formula of Benzethonium is C27H42NO2+.
What is the molecular weight of Benzethonium?
The molecular weight of Benzethonium is 412.32156 g/mol.
Where can I buy Benzethonium?
You can request a quote for Benzethonium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzethonium?
Yes, CoreyChem provides custom synthesis services for Benzethonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.