4-Azidobretylium tosylate
TL;DR: 4-Azidobretylium tosylate (CAS 105959-93-1) is a chemical compound with molecular formula C18H23BrN4O3S and molecular weight 454.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-azido-2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate
Also Known As: 4-Azidobretylium tosylate, 4-Azido-2-bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 4-methylbenzenesulfonate, (4-azido-2-bromo-phenyl)methyl-ethyl-dimethyl-azanium; 4-methylbenzenesulfonate, (4-azido-2-bromophenyl)methyl-ethyl-dimethylazanium,4-methylbenzenesulfonate, (4-azido-2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate
| Molecular Formula | C18H23BrN4O3S |
|---|---|
| Molecular Weight | 454.07 g/mol |
| LogP | 4.88632 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.0674 |
| Heavy Atoms | 27 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 105959-93-1 |
|---|---|
| SMILES | CC[N+](C)(C)CC1=C(C=C(C=C1)N=[N+]=[N-])Br.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | ODHLIFUZXVKFBM-UHFFFAOYSA-M |
Product Overview
4-Azidobretylium tosylate (CAS 105959-93-1), with molecular formula C18H23BrN4O3S and molecular weight 454.07 g/mol. IUPAC: (4-azido-2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of 4-Azidobretylium tosylate
Property Insights of 4-Azidobretylium tosylate
The XLogP value of 4.88632 indicates that 4-Azidobretylium tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Azidobretylium tosylate. Following Lipinski's Rule of Five, 4-Azidobretylium tosylate has 0 hydrogen bond donor(s) and 5 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 4-Azidobretylium tosylate?
The CAS number of 4-Azidobretylium tosylate is 105959-93-1.
What is the molecular formula of 4-Azidobretylium tosylate?
The molecular formula of 4-Azidobretylium tosylate is C18H23BrN4O3S.
What is the molecular weight of 4-Azidobretylium tosylate?
The molecular weight of 4-Azidobretylium tosylate is 454.07 g/mol.
Where can I buy 4-Azidobretylium tosylate?
You can request a quote for 4-Azidobretylium tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azidobretylium tosylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidobretylium tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.