2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
TL;DR: 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide (CAS 496809-68-8) is a chemical compound with molecular formula C12H12BrN5O3 and molecular weight 353.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
Also Known As: 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide, 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide, N-(2,5-dimethylphenyl)-2-(5-bromo-3-nitro(1,2,4-triazolyl))acetamide
| Molecular Formula | C12H12BrN5O3 |
|---|---|
| Molecular Weight | 353.01 g/mol |
| LogP | 2.20434 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.01236 |
| Heavy Atoms | 21 |
| Complexity | 712.91364 |
Chemical Identifiers
| CAS Number | 496809-68-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br |
Product Overview
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide (CAS 496809-68-8), with molecular formula C12H12BrN5O3 and molecular weight 353.01 g/mol. IUPAC: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide.
Chemical Property Profile of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
Property Insights of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
The XLogP value of 2.20434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide 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-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The CAS number of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide is 496809-68-8.
What is the molecular formula of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The molecular formula of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide is C12H12BrN5O3.
What is the molecular weight of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The molecular weight of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide is 353.01 g/mol.
Where can I buy 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
You can request a quote for 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2,5-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.