N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide)
TL;DR: N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) (CAS 80616-62-2) is a chemical compound with molecular formula C16H11N7O6 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[3-[(4-nitrobenzoyl)amino]-1H-1,2,4-triazol-5-yl]benzamide
Also Known As: N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide), 4-nitro-N-[3-[(4-nitrobenzoyl)amino]-1H-1,2,4-triazol-5-yl]b, 4-nitro-N-[3-[(4-nitrobenzoyl)amino]-1H-1,2,4-triazol-5-yl]benzamide
| Molecular Formula | C16H11N7O6 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 2.1257 |
| Topological Polar Surface Area | 186.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0771 |
| Heavy Atoms | 29 |
| Complexity | 1005.7061 |
Chemical Identifiers
| CAS Number | 80616-62-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=NC(=NN2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) (CAS 80616-62-2), with molecular formula C16H11N7O6 and molecular weight 397.08 g/mol. IUPAC: 4-nitro-N-[3-[(4-nitrobenzoyl)amino]-1H-1,2,4-triazol-5-yl]benzamide.
Chemical Property Profile of N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide)
Property Insights of N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide)
The XLogP value of 2.1257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide). The TPSA of 186.05 Ų indicates high polarity, suggesting N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) has 3 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 N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide)?
The CAS number of N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) is 80616-62-2.
What is the molecular formula of N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide)?
The molecular formula of N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) is C16H11N7O6.
What is the molecular weight of N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide)?
The molecular weight of N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) is 397.08 g/mol.
Where can I buy N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide)?
You can request a quote for N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(4-nitrobenzamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.