2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide
TL;DR: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide (CAS 468093-07-4) is a chemical compound with molecular formula C12H13BrCl2N4O and molecular weight 377.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide
Also Known As: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide, 4-Amino-1-[2-(2,4-dichloro-phenyl)-2-oxo-ethyl]-3,5-dimethyl-4H-[1,2,4]triazol-1-ium, 4-amino-1-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3,5-dimethyl-4H-1,2,4-triazol-1-ium bromide, 4-amino-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3,5-dimethyl-1H-1,2,4-triazol-4-ium bromide, Cambridge id 5533360
| Molecular Formula | C12H13BrCl2N4O |
|---|---|
| Molecular Weight | 377.96 g/mol |
| LogP | -1.30506 |
| Topological Polar Surface Area | 64.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.96497 |
| Heavy Atoms | 20 |
| Complexity | 657.14716 |
Chemical Identifiers
| CAS Number | 468093-07-4 |
|---|---|
| SMILES | CC1=NN(C(=[N+]1N)C)CC(=O)C2=C(C=C(C=C2)Cl)Cl.[Br-] |
Product Overview
2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide (CAS 468093-07-4), with molecular formula C12H13BrCl2N4O and molecular weight 377.96 g/mol. IUPAC: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide.
Chemical Property Profile of 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide
Property Insights of 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide
The XLogP value of -1.30506 indicates that 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide. Following Lipinski's Rule of Five, 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide has 1 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 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide?
The CAS number of 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide is 468093-07-4.
What is the molecular formula of 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide?
The molecular formula of 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide is C12H13BrCl2N4O.
What is the molecular weight of 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide?
The molecular weight of 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide is 377.96 g/mol.
Where can I buy 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide?
You can request a quote for 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dichlorophenyl)ethanone bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.