N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
TL;DR: N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 312635-63-5) is a chemical compound with molecular formula C12H11N5O4 and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: BAS 00535153, BIM-0000650.P001, N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide, N-(3-acetylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide, N-(3-acetylphenyl)-2-(3-nitro(1,2,4-triazolyl))acetamide
| Molecular Formula | C12H11N5O4 |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.08112 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 312635-63-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-] |
| InChIKey | YPMMTJVUXRNTJY-UHFFFAOYSA-N |
Product Overview
N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 312635-63-5), with molecular formula C12H11N5O4 and molecular weight 289.08 g/mol. IUPAC: N-(3-acetylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Property Insights of N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The CAS number of N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 312635-63-5.
What is the molecular formula of N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular formula of N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is C12H11N5O4.
What is the molecular weight of N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular weight of N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 289.08 g/mol.
Where can I buy N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
You can request a quote for N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.