2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole
TL;DR: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole (CAS 18383-84-1) is a chemical compound with molecular formula C11H9N5O2S and molecular weight 275.05 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-1H-benzimidazole
Also Known As: ML068 Analog, NCI60_010158, 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole, 5-benzimidazol-2-ylthio-1-methyl-4-nitroimidazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-benzimidazole
| Molecular Formula | C11H9N5O2S |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.0477 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 18383-84-1 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=NC3=CC=CC=C3N2)[N+](=O)[O-] |
| InChIKey | FSUBLVKGNQIAEM-UHFFFAOYSA-N |
Product Overview
2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole (CAS 18383-84-1), with molecular formula C11H9N5O2S and molecular weight 275.05 g/mol. IUPAC: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole.
Chemical Property Profile of 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole
Property Insights of 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole has 1 hydrogen bond donor(s) and 5 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-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole?
The CAS number of 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole is 18383-84-1.
What is the molecular formula of 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole?
The molecular formula of 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole is C11H9N5O2S.
What is the molecular weight of 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole?
The molecular weight of 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole is 275.05 g/mol.
Where can I buy 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole?
You can request a quote for 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-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-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.