2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide
TL;DR: 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide (CAS 126961-68-0) is a chemical compound with molecular formula C10H9Br3N4O and molecular weight 437.83264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone bromide
Also Known As: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide, 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone bromide, 4-amino-1-(2-(2,4-dibromophenyl)-2-oxoethyl)-1H-1,2,4-triazol-4-ium bromide, 4-amino-1-[2-(2,4-dibromophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium bromide, 2-(4-amino-1,2-diaza-4-azoniacyclopenta-2,4-dien-1-yl)-1-(2,4-dibromophenyl)ethanone Bromide
Technical Specifications
| Molecular Formula | C10H9Br3N4O |
| Molecular Weight | 437.83264 g/mol |
| XLogP | -1.7037 |
| Topological Polar Surface Area (TPSA) | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.83264 Da |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
| SMILES | C1=CC(=C(C=C1Br)Br)C(=O)CN2C=[N+](C=N2)N.[Br-] |
| InChIKey | SVQAVVUOWWCTJK-UHFFFAOYSA-M |
Chemical Property Profile of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide
Property Insights of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide
The XLogP value of -1.7037 indicates that 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide. Following Lipinski's Rule of Five, 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide?
The CAS number of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide is 126961-68-0.
What is the molecular formula of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide?
The molecular formula of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide is C10H9Br3N4O.
What is the molecular weight of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide?
The molecular weight of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide is 437.83264 g/mol.
Where can I buy 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide?
You can request a quote for 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide?
Yes, CoreyChem provides custom synthesis services for 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2,4-dibromophenyl)ethanone;bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.