Bretylium Tosylate
TL;DR: Bretylium Tosylate (CAS 61-75-6) is a chemical compound with molecular formula C18H24BrNO3S and molecular weight 413.06604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate
Also Known As: Bretylium tosylate, Bretylol, Bretylium tosilate, Bretylate, Ornid
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24BrNO3S |
| Molecular Weight | 413.06604 g/mol |
| XLogP | 3.94 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.06604 Da |
| Heavy Atoms | 24 |
| Complexity | 349.0 |
| Solubility | >62.2 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CC[N+](C)(C)CC1=CC=CC=C1Br.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | KVWNWTZZBKCOPM-UHFFFAOYSA-M |
Product Description
Applications: Bretylium Tosylate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bretylium Tosylate (CAS 61-75-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Bretylium Tosylate (CAS 61-75-6) has the molecular formula C18H24BrNO3S and a molecular weight of 413.07 g/mol. Reported properties include a solubility: >62.2 [ug/mL] (The mean of the results at pH 7.4). It is also known as Bretylium tosylate and Bretylol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 413.06604 g/mol.
What are the applications of Bretylium Tosylate?
Bretylium Tosylate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bretylium Tosylate (CAS 61-75-6)...
Where can I buy Bretylium Tosylate?
You can request a quote for Bretylium Tosylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bretylium Tosylate?
Yes, CoreyChem provides custom synthesis services for Bretylium Tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.