N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide
TL;DR: N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide (CAS 384352-93-6) is a chemical compound with molecular formula C22H16N6O4 and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide
Also Known As: N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide, N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitro-benzamide, N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide, 3-nitro-N-{(3E)-2-phenyl-5-[(phenylcarbonyl)amino]-2,4-dihydro-3H-1,2,4-triazol-3-ylidene}benzamide
| Molecular Formula | C22H16N6O4 |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 3.6801 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.1233 |
| Heavy Atoms | 32 |
| Complexity | 1288.296 |
Chemical Identifiers
| CAS Number | 384352-93-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=NN(C(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide (CAS 384352-93-6), with molecular formula C22H16N6O4 and molecular weight 428.12 g/mol. IUPAC: N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide
Property Insights of N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide
The XLogP value of 3.6801 indicates that N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-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-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide?
The CAS number of N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide is 384352-93-6.
What is the molecular formula of N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide?
The molecular formula of N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide is C22H16N6O4.
What is the molecular weight of N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide?
The molecular weight of N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide is 428.12 g/mol.
Where can I buy N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide?
You can request a quote for N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-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-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.