2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide
TL;DR: 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide (CAS 139370-87-9) is a chemical compound with molecular formula C10H10BrN5O3 and molecular weight 327.00 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-(4-nitrophenyl)ethanone bromide
Also Known As: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide, 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide, 4-amino-1-(2-(4-nitrophenyl)-2-oxoethyl)-1H-1,2,4-triazol-4-ium bromide, 2-(4-amino-1,2-diaza-4-azoniacyclopenta-2,4-dien-1-yl)-1-(4-nitrophenyl)ethanone Bromide
| Molecular Formula | C10H10BrN5O3 |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | -3.3205 |
| Topological Polar Surface Area | 107.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.9967 |
| Heavy Atoms | 19 |
| Complexity | 595.4675 |
Chemical Identifiers
| CAS Number | 139370-87-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CN2C=[N+](C=N2)N)[N+](=O)[O-].[Br-] |
Product Overview
2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide (CAS 139370-87-9), with molecular formula C10H10BrN5O3 and molecular weight 327.00 g/mol. IUPAC: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide.
Chemical Property Profile of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide
Property Insights of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide
The XLogP value of -3.3205 indicates that 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide. Following Lipinski's Rule of Five, 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide has 1 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 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide?
The CAS number of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide is 139370-87-9.
What is the molecular formula of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide?
The molecular formula of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide is C10H10BrN5O3.
What is the molecular weight of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide?
The molecular weight of 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide is 327.00 g/mol.
Where can I buy 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide?
You can request a quote for 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)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-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.