Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-
TL;DR: Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl- (CAS 36918-79-3) 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-(1H-1,2,4-triazol-5-yl)benzamide
Also Known As: Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-, 4-Nitro-N-1H-1,2,4-triazol-3-ylbenzamide, 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide, N-(1H-1,2,4-triazol-3-yl)(4-nitrophenyl)carboxamide, RefChem:321772
| Molecular Formula | C9H7N5O3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 0.9652 |
| Topological Polar Surface Area | 113.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05489 |
| Heavy Atoms | 17 |
| Complexity | 534.2688 |
Chemical Identifiers
| CAS Number | 36918-79-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=NC=NN2)[N+](=O)[O-] |
Product Overview
Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl- (CAS 36918-79-3), with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol. IUPAC: 4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide.
Chemical Property Profile of Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-
Property Insights of Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-
The XLogP value of 0.9652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-. The TPSA of 113.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-. Following Lipinski's Rule of Five, Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl- has 2 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 Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-?
The CAS number of Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl- is 36918-79-3.
What is the molecular formula of Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-?
The molecular formula of Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl- is C9H7N5O3.
What is the molecular weight of Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-?
The molecular weight of Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl- is 233.05 g/mol.
Where can I buy Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-?
You can request a quote for Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 4-nitro-N-1H-1,2,4-triazol-3-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.