1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole
TL;DR: 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole (CAS 116248-39-6) is a chemical compound with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonylmethyl)-1-methyl-5-nitroimidazole
Also Known As: Benanomicin B, 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole, 2-(benzenesulfonylmethyl)-1-methyl-5-nitroimidazole, 1-methyl-2-phenylsulfonylmethyl-5-nitroimidazole, 1H-Imidazole, 1-methyl-5-nitro-2-((phenylsulfonyl)methyl)-
| Molecular Formula | C11H11N3O4S |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.04703 |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 116248-39-6 |
|---|---|
| SMILES | CN1C(=CN=C1CS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | ZRUQEDTXSPNOQI-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole (CAS 116248-39-6), with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol. IUPAC: 2-(benzenesulfonylmethyl)-1-methyl-5-nitroimidazole.
Chemical Property Profile of 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole
Property Insights of 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole. Following Lipinski's Rule of Five, 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole has 0 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 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole?
The CAS number of 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole is 116248-39-6.
What is the molecular formula of 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole?
The molecular formula of 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole is C11H11N3O4S.
What is the molecular weight of 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole?
The molecular weight of 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole is 281.05 g/mol.
Where can I buy 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole?
You can request a quote for 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-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-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-nitro-2-((phenylsulfonyl)methyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.