Bretylium Tosylate
TL;DR: Bretylium Tosylate (CAS 61-75-6) is a chemical compound with molecular formula C18H24BrNO3S and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate
Also Known As: Bretylium tosylate, Bretylol, Bretylium tosilate, Bretylate, Ornid
| Molecular Formula | C18H24BrNO3S |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 3.94 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.06604 |
| Heavy Atoms | 24 |
| Complexity | 349.0 |
| Solubility | >62.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 61-75-6 |
|---|---|
| SMILES | CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | KVWNWTZZBKCOPM-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bretylium Tosylate (CAS 61-75-6), with molecular formula C18H24BrNO3S and molecular weight 413.07 g/mol. IUPAC: (2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of Bretylium Tosylate
Property Insights of Bretylium Tosylate
The XLogP value of 3.94 indicates that Bretylium Tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bretylium Tosylate. Following Lipinski's Rule of Five, Bretylium Tosylate 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 Bretylium Tosylate?
The CAS number of Bretylium Tosylate is 61-75-6.
What is the molecular formula of Bretylium Tosylate?
The molecular formula of Bretylium Tosylate is C18H24BrNO3S.
What is the molecular weight of Bretylium Tosylate?
The molecular weight of Bretylium Tosylate is 413.07 g/mol.
Where can I buy Bretylium Tosylate?
You can request a quote for Bretylium Tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bretylium Tosylate?
Yes, KEHONG BIO provides custom synthesis services for Bretylium Tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.