1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole
TL;DR: 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole (CAS 392237-32-0) is a chemical compound with molecular formula C10H8N4O4S and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitro-5-(4-nitrophenyl)sulfanylimidazole
Also Known As: NPTI, 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole, J2.581.197F, 1-methyl-4-nitro-5-(4-nitrophenyl)sulfanylimidazole, 1-methyl-4-nitro-5-(p-nitrophenylthio)imidazole
| Molecular Formula | C10H8N4O4S |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 2.3877 |
| Topological Polar Surface Area | 104.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0266 |
| Heavy Atoms | 19 |
| Complexity | 637.47925 |
Chemical Identifiers
| CAS Number | 392237-32-0 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole (CAS 392237-32-0), with molecular formula C10H8N4O4S and molecular weight 280.03 g/mol. IUPAC: 1-methyl-4-nitro-5-(4-nitrophenyl)sulfanylimidazole.
Chemical Property Profile of 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole
Property Insights of 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole
The XLogP value of 2.3877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole. The TPSA of 104.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole. Following Lipinski's Rule of Five, 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole has 0 hydrogen bond donor(s) and 6 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-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole?
The CAS number of 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole is 392237-32-0.
What is the molecular formula of 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole?
The molecular formula of 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole is C10H8N4O4S.
What is the molecular weight of 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole?
The molecular weight of 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole is 280.03 g/mol.
Where can I buy 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole?
You can request a quote for 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.