N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
TL;DR: N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338407-90-2) is a chemical compound with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
Also Known As: N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide, N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide, N-(4-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide, 3-nitro-N-(p-tolyl)-4-(1,2,4-triazol-1-yl)benzamide
| Molecular Formula | C16H13N5O3 |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 2.73622 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.10184 |
| Heavy Atoms | 24 |
| Complexity | 888.5862 |
Chemical Identifiers
| CAS Number | 338407-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] |
Product Overview
N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338407-90-2), with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol. IUPAC: N-(4-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.
Chemical Property Profile of N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
Property Insights of N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
The XLogP value of 2.73622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. Following Lipinski's Rule of Five, N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide 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 N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The CAS number of N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 338407-90-2.
What is the molecular formula of N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular formula of N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is C16H13N5O3.
What is the molecular weight of N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular weight of N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 323.10 g/mol.
Where can I buy N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
You can request a quote for N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.