1-(2-Methylsulfonylethyl)-2-nitroimidazole
TL;DR: 1-(2-Methylsulfonylethyl)-2-nitroimidazole (CAS 71006-79-6) is a chemical compound with molecular formula C6H9N3O4S and molecular weight 219.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylsulfonylethyl)-2-nitroimidazole
Also Known As: 1-(2-methylsulfonylethyl)-2-nitroimidazole, J1.554.523B, 1-(2-methanesulfonylethyl)-2-nitro-1H-imidazole, 1-[2-(Methanesulfonyl)ethyl]-2-nitro-1H-imidazole, 1-[2-(Methylsulfonyl)ethyl]-2-nitro-1H-imidazole
| Molecular Formula | C6H9N3O4S |
|---|---|
| Molecular Weight | 219.03 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.03137 |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 71006-79-6 |
|---|---|
| SMILES | CS(=O)(=O)CCN1C=CN=C1[N+](=O)[O-] |
| InChIKey | RWZQCBAAIIVALP-UHFFFAOYSA-N |
Product Overview
1-(2-Methylsulfonylethyl)-2-nitroimidazole (CAS 71006-79-6), with molecular formula C6H9N3O4S and molecular weight 219.03 g/mol. IUPAC: 1-(2-methylsulfonylethyl)-2-nitroimidazole.
Chemical Property Profile of 1-(2-Methylsulfonylethyl)-2-nitroimidazole
Property Insights of 1-(2-Methylsulfonylethyl)-2-nitroimidazole
The XLogP value of -1.3 indicates that 1-(2-Methylsulfonylethyl)-2-nitroimidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methylsulfonylethyl)-2-nitroimidazole. Following Lipinski's Rule of Five, 1-(2-Methylsulfonylethyl)-2-nitroimidazole 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-(2-Methylsulfonylethyl)-2-nitroimidazole?
The CAS number of 1-(2-Methylsulfonylethyl)-2-nitroimidazole is 71006-79-6.
What is the molecular formula of 1-(2-Methylsulfonylethyl)-2-nitroimidazole?
The molecular formula of 1-(2-Methylsulfonylethyl)-2-nitroimidazole is C6H9N3O4S.
What is the molecular weight of 1-(2-Methylsulfonylethyl)-2-nitroimidazole?
The molecular weight of 1-(2-Methylsulfonylethyl)-2-nitroimidazole is 219.03 g/mol.
Where can I buy 1-(2-Methylsulfonylethyl)-2-nitroimidazole?
You can request a quote for 1-(2-Methylsulfonylethyl)-2-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylsulfonylethyl)-2-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylsulfonylethyl)-2-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.