2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole
TL;DR: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole (CAS 177653-77-9) is a chemical compound with molecular formula C11H8N6O4S and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole
Also Known As: NCI60_010160, 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole, 1H-benzimidazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-5-nitro-, 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole, 2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-5-nitro-1H-benzimidazole
| Molecular Formula | C11H8N6O4S |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.03278 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 177653-77-9 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LZKIRLIUPOKKBU-UHFFFAOYSA-N |
Product Overview
2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole (CAS 177653-77-9), with molecular formula C11H8N6O4S and molecular weight 320.03 g/mol. IUPAC: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole.
Chemical Property Profile of 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole
Property Insights of 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole. The TPSA of 163.0 Ų indicates high polarity, suggesting 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole has 1 hydrogen bond donor(s) and 7 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-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole?
The CAS number of 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole is 177653-77-9.
What is the molecular formula of 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole?
The molecular formula of 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole is C11H8N6O4S.
What is the molecular weight of 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole?
The molecular weight of 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole is 320.03 g/mol.
Where can I buy 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole?
You can request a quote for 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.