苄索氯铵
TL;DR: 苄索氯铵 (CAS 121-54-0) is a chemical compound with molecular formula C27H42ClNO2 and molecular weight 447.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄索氯铵
benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride
Also Known As: benzethonium chloride, Hyamine, Phemeride, Phemerol Chloride, Quatrachlor
| Molecular Formula | C27H42ClNO2 |
|---|---|
| Molecular Weight | 447.29 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 447.2904 |
| Heavy Atoms | 31 |
| Complexity | 466.0 |
| Melting Point | 327 to 166.1 °C |
| Solubility | 10 to 50 mg/mL at 64 °F (NTP, 1992) |
| Refractive Index | 1.5101 @ 25 °C; FALLS ON REPETITION |
Chemical Identifiers
| CAS Number | 121-54-0 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] |
| InChIKey | UREZNYTWGJKWBI-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄索氯铵 (CAS 121-54-0), with molecular formula C27H42ClNO2 and molecular weight 447.29 g/mol. IUPAC: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride.
Chemical Property Profile of 苄索氯铵
Property Insights of 苄索氯铵
The XLogP value of 3.08 indicates that 苄索氯铵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 苄索氯铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄索氯铵 has 0 hydrogen bond donor(s) and 3 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 苄索氯铵?
The CAS number of 苄索氯铵 is 121-54-0.
What is the molecular formula of 苄索氯铵?
The molecular formula of 苄索氯铵 is C27H42ClNO2.
What is the molecular weight of 苄索氯铵?
The molecular weight of 苄索氯铵 is 447.29 g/mol.
Where can I buy 苄索氯铵?
You can request a quote for 苄索氯铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄索氯铵?
Yes, KEHONG BIO provides custom synthesis services for 苄索氯铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.