2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide
TL;DR: 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide (CAS 299968-69-7) is a chemical compound with molecular formula C9H7N7O5 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
Also Known As: 2-amino-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide, 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide, 2-Amino-3,5-dinitro-N-[1,2,4]triazol-4-yl-benzamide, (2-amino-3,5-dinitrophenyl)-N-(1,2,4-triazol-4-yl)carboxamide
| Molecular Formula | C9H7N7O5 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 0.0606 |
| Topological Polar Surface Area | 172.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.05087 |
| Heavy Atoms | 21 |
| Complexity | 726.33777 |
Chemical Identifiers
| CAS Number | 299968-69-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)NN2C=NN=C2)N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide (CAS 299968-69-7), with molecular formula C9H7N7O5 and molecular weight 293.05 g/mol. IUPAC: 2-amino-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide.
Chemical Property Profile of 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide
Property Insights of 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide
The XLogP value of 0.0606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide. The TPSA of 172.11 Ų indicates high polarity, suggesting 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide has 2 hydrogen bond donor(s) and 8 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 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide?
The CAS number of 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide is 299968-69-7.
What is the molecular formula of 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide?
The molecular formula of 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide is C9H7N7O5.
What is the molecular weight of 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide?
The molecular weight of 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide is 293.05 g/mol.
Where can I buy 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide?
You can request a quote for 2-amino-3,5-dinitro-N-(4H-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 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.