N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
TL;DR: N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338408-00-7) is a chemical compound with molecular formula C16H13N5O4 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
Also Known As: N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide, 3G-335S, N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide, N-(3-methoxyphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
| Molecular Formula | C16H13N5O4 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 2.4364 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.09674 |
| Heavy Atoms | 25 |
| Complexity | 924.0343 |
Chemical Identifiers
| CAS Number | 338408-00-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-] |
Product Overview
N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338408-00-7), with molecular formula C16H13N5O4 and molecular weight 339.10 g/mol. IUPAC: N-(3-methoxyphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.
Chemical Property Profile of N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
Property Insights of N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
The XLogP value of 2.4364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. Following Lipinski's Rule of Five, N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide 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-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The CAS number of N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 338408-00-7.
What is the molecular formula of N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular formula of N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is C16H13N5O4.
What is the molecular weight of N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular weight of N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 339.10 g/mol.
Where can I buy N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
You can request a quote for N-(3-methoxyphenyl)-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-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methoxyphenyl)-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.