溴化西他氯铵
TL;DR: 溴化西他氯铵 (CAS 41287-88-1) is a chemical compound with molecular formula C25H46BrN and molecular weight 439.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴化西他氯铵
benzyl-hexadecyl-dimethylazanium bromide
Also Known As: Cetalkonium bromide, Cetalkonium, Bonjela, Cetyldimethylbenzylammonium, Cetylbenzyldimethylammonium bromide
| Molecular Formula | C25H46BrN |
|---|---|
| Molecular Weight | 439.28 g/mol |
| LogP | 4.7483 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 17 |
| Exact Mass | 439.28137 |
| Heavy Atoms | 27 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 41287-88-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-] |
| InChIKey | DLNWMWYCSOQYSQ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴化西他氯铵 (CAS 41287-88-1), with molecular formula C25H46BrN and molecular weight 439.28 g/mol. IUPAC: benzyl-hexadecyl-dimethylazanium bromide.
Chemical Property Profile of 溴化西他氯铵
Property Insights of 溴化西他氯铵
The XLogP value of 4.7483 indicates that 溴化西他氯铵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 溴化西他氯铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴化西他氯铵 has 0 hydrogen bond donor(s) and 1 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 溴化西他氯铵?
The CAS number of 溴化西他氯铵 is 41287-88-1.
What is the molecular formula of 溴化西他氯铵?
The molecular formula of 溴化西他氯铵 is C25H46BrN.
What is the molecular weight of 溴化西他氯铵?
The molecular weight of 溴化西他氯铵 is 439.28 g/mol.
Where can I buy 溴化西他氯铵?
You can request a quote for 溴化西他氯铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴化西他氯铵?
Yes, KEHONG BIO provides custom synthesis services for 溴化西他氯铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.