4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
TL;DR: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide (CAS 7006-86-2) is a chemical compound with molecular formula C17H15N7O5 and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
Also Known As: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide, 4-(2,4-Dimethylanilino)-3,5-dinitro-N-(4H-1,2,4-triazol-4-yl)benzamide, 4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
| Molecular Formula | C17H15N7O5 |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.83884 |
| Topological Polar Surface Area | 158.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.11346 |
| Heavy Atoms | 29 |
| Complexity | 1076.3596 |
Chemical Identifiers
| CAS Number | 7006-86-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NN3C=NN=C3)[N+](=O)[O-])C |
Product Overview
4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide (CAS 7006-86-2), with molecular formula C17H15N7O5 and molecular weight 397.11 g/mol. IUPAC: 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide.
Chemical Property Profile of 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
Property Insights of 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide
The XLogP value of 2.83884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide. The TPSA of 158.12 Ų indicates high polarity, suggesting 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2,4-dimethylanilino)-3,5-dinitro-N-(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 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide?
The CAS number of 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide is 7006-86-2.
What is the molecular formula of 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide?
The molecular formula of 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide is C17H15N7O5.
What is the molecular weight of 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide?
The molecular weight of 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide is 397.11 g/mol.
Where can I buy 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide?
You can request a quote for 4-(2,4-dimethylanilino)-3,5-dinitro-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-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-dimethylanilino)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.