2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide
TL;DR: 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide (CAS 126961-69-1) is a chemical compound with molecular formula C10H10Br2N4O and molecular weight 359.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-bromophenyl)ethanone bromide
Also Known As: BIM-0022687.P001, 2-(4-amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide, 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-bromophenyl)ethanone bromide, 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-bromophenyl)ethanone;bromide, 4-amino-1-(2-(2-bromophenyl)-2-oxoethyl)-1H-1,2,4-triazol-4-ium bromide
| Molecular Formula | C10H10Br2N4O |
|---|---|
| Molecular Weight | 359.92 g/mol |
| LogP | -2.4662 |
| Topological Polar Surface Area | 64.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.92215 |
| Heavy Atoms | 17 |
| Complexity | 526.52936 |
Chemical Identifiers
| CAS Number | 126961-69-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)CN2C=[N+](C=N2)N)Br.[Br-] |
Product Overview
2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide (CAS 126961-69-1), with molecular formula C10H10Br2N4O and molecular weight 359.92 g/mol. IUPAC: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-bromophenyl)ethanone bromide.
Chemical Property Profile of 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide
Property Insights of 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide
The XLogP value of -2.4662 indicates that 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, 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(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide. Following Lipinski's Rule of Five, 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, 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(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide?
The CAS number of 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide is 126961-69-1.
What is the molecular formula of 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide?
The molecular formula of 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide is C10H10Br2N4O.
What is the molecular weight of 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide?
The molecular weight of 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide is 359.92 g/mol.
Where can I buy 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide?
You can request a quote for 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, 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(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amino(1,2,4-triazolyl))-1-(2-bromophenyl)ethan-1-one, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.