4-nitro-N-(1,2,4-triazol-4-yl)benzamide
TL;DR: 4-nitro-N-(1,2,4-triazol-4-yl)benzamide (CAS 62591-62-2) 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.
4-nitro-N-(1,2,4-triazol-4-yl)benzamide
Also Known As: 4-nitro-N-(1,2,4-triazol-4-yl)benzamide, 4-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide, 4-Nitro-N-[1,2,4]triazol-4-yl-benzamide, BAS 00483125, N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide
| Molecular Formula | C9H7N5O3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.05489 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 62591-62-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NN2C=NN=C2)[N+](=O)[O-] |
| InChIKey | HDRXSSZOGQDSNM-UHFFFAOYSA-N |
Product Overview
4-nitro-N-(1,2,4-triazol-4-yl)benzamide (CAS 62591-62-2), with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol. IUPAC: 4-nitro-N-(1,2,4-triazol-4-yl)benzamide.
Chemical Property Profile of 4-nitro-N-(1,2,4-triazol-4-yl)benzamide
Property Insights of 4-nitro-N-(1,2,4-triazol-4-yl)benzamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-(1,2,4-triazol-4-yl)benzamide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-(1,2,4-triazol-4-yl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(1,2,4-triazol-4-yl)benzamide 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 4-nitro-N-(1,2,4-triazol-4-yl)benzamide?
The CAS number of 4-nitro-N-(1,2,4-triazol-4-yl)benzamide is 62591-62-2.
What is the molecular formula of 4-nitro-N-(1,2,4-triazol-4-yl)benzamide?
The molecular formula of 4-nitro-N-(1,2,4-triazol-4-yl)benzamide is C9H7N5O3.
What is the molecular weight of 4-nitro-N-(1,2,4-triazol-4-yl)benzamide?
The molecular weight of 4-nitro-N-(1,2,4-triazol-4-yl)benzamide is 233.05 g/mol.
Where can I buy 4-nitro-N-(1,2,4-triazol-4-yl)benzamide?
You can request a quote for 4-nitro-N-(1,2,4-triazol-4-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-(1,2,4-triazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(1,2,4-triazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.