5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole
TL;DR: 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole (CAS 13755-79-8) is a chemical compound with molecular formula C5H7N3O4S and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-methylsulfonyl-4-nitroimidazole
Also Known As: 1-methyl-5-methylsulfonyl-4-nitroimidazole, 1-methyl-5-(methylsulfonyl)-4-nitro-1H-imidazole, Ro-31-0750, 5-methanesulfonyl-1-methyl-4-nitro-1H-imidazole, 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole
| Molecular Formula | C5H7N3O4S |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.01573 |
| Heavy Atoms | 13 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 13755-79-8 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)(=O)C)[N+](=O)[O-] |
| InChIKey | PARSHOLGHQRIIZ-UHFFFAOYSA-N |
Product Overview
5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole (CAS 13755-79-8), with molecular formula C5H7N3O4S and molecular weight 205.02 g/mol. IUPAC: 1-methyl-5-methylsulfonyl-4-nitroimidazole.
Chemical Property Profile of 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole
Property Insights of 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole
The XLogP value of -0.1 indicates that 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole 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 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 5-(Methanesulfonyl)-1-methyl-4-nitro-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 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole?
The CAS number of 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole is 13755-79-8.
What is the molecular formula of 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole?
The molecular formula of 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole is C5H7N3O4S.
What is the molecular weight of 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole?
The molecular weight of 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole is 205.02 g/mol.
Where can I buy 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole?
You can request a quote for 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methanesulfonyl)-1-methyl-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.