苄索铵
TL;DR: 苄索铵 (CAS 10172-60-8) is a chemical compound with molecular formula C27H42NO2+ and molecular weight 412.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄索铵
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
| Molecular Formula | C27H42NO2+ |
|---|---|
| Molecular Weight | 412.32 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 412.32156 |
| Heavy Atoms | 30 |
| Complexity | 466.0 |
| Melting Point | 158-163 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 10172-60-8 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 |
| InChIKey | SIYLLGKDQZGJHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄索铵 (CAS 10172-60-8), with molecular formula C27H42NO2+ and molecular weight 412.32 g/mol. IUPAC: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium.
Chemical Property Profile of 苄索铵
Property Insights of 苄索铵
The XLogP value of 6.7 indicates that 苄索铵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 苄索铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄索铵 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苄索铵?
The CAS number of 苄索铵 is 10172-60-8.
What is the molecular formula of 苄索铵?
The molecular formula of 苄索铵 is C27H42NO2+.
What is the molecular weight of 苄索铵?
The molecular weight of 苄索铵 is 412.32 g/mol.
Where can I buy 苄索铵?
You can request a quote for 苄索铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄索铵?
Yes, KEHONG BIO provides custom synthesis services for 苄索铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.