1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole
TL;DR: 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole (CAS 695210-35-6) is a chemical compound with molecular formula C12H9N7O4S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazole
Also Known As: A3338/0141780, 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole, 1-methyl-3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazole, 1-methyl-3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazole
| Molecular Formula | C12H9N7O4S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 2.1728 |
| Topological Polar Surface Area | 145.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.04367 |
| Heavy Atoms | 24 |
| Complexity | 917.8918 |
Chemical Identifiers
| CAS Number | 695210-35-6 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])SC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole (CAS 695210-35-6), with molecular formula C12H9N7O4S and molecular weight 347.04 g/mol. IUPAC: 1-methyl-3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazole.
Chemical Property Profile of 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole
Property Insights of 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole
The XLogP value of 2.1728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole. The TPSA of 145.67 Ų indicates high polarity, suggesting 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole has 1 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 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole?
The CAS number of 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole is 695210-35-6.
What is the molecular formula of 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole?
The molecular formula of 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole is C12H9N7O4S.
What is the molecular weight of 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole?
The molecular weight of 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole is 347.04 g/mol.
Where can I buy 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole?
You can request a quote for 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-nitro-5-((4-(4-nitrophenyl)-1H-imidazol-2-yl)thio)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.