3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
TL;DR: 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338397-10-7) is a chemical compound with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(1,2,4-triazol-1-yl)benzamide
Also Known As: 3-nitro-4-(1,2,4-triazol-1-yl)benzamide, 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide, 2G-353S, 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
| Molecular Formula | C9H7N5O3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 0.2744 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05489 |
| Heavy Atoms | 17 |
| Complexity | 578.3222 |
Chemical Identifiers
| CAS Number | 338397-10-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])N2C=NC=N2 |
Product Overview
3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide (CAS 338397-10-7), with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol. IUPAC: 3-nitro-4-(1,2,4-triazol-1-yl)benzamide.
Chemical Property Profile of 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
Property Insights of 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
The XLogP value of 0.2744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide. Following Lipinski's Rule of Five, 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 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The CAS number of 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 338397-10-7.
What is the molecular formula of 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular formula of 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is C9H7N5O3.
What is the molecular weight of 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
The molecular weight of 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide is 233.05 g/mol.
Where can I buy 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
You can request a quote for 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 3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 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.