N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide
TL;DR: N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide (CAS 385389-41-3) is a chemical compound with molecular formula C15H12N6O3 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide
Also Known As: N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide, N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide
| Molecular Formula | C15H12N6O3 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.09708 |
| Heavy Atoms | 24 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 385389-41-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N |
| InChIKey | HOCDGUZGJJATNB-UHFFFAOYSA-N |
Product Overview
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide (CAS 385389-41-3), with molecular formula C15H12N6O3 and molecular weight 324.10 g/mol. IUPAC: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide
Property Insights of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide has 2 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-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide?
The CAS number of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide is 385389-41-3.
What is the molecular formula of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide?
The molecular formula of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide is C15H12N6O3.
What is the molecular weight of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide?
The molecular weight of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide is 324.10 g/mol.
Where can I buy N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide?
You can request a quote for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.