N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid
TL;DR: N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid (CAS 80348-60-3) is a chemical compound with molecular formula C6H8N4O5S and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-5-nitroimidazol-4-yl)sulfonylacetamide
Also Known As: N-(3-methyl-5-nitroimidazol-4-yl)sulfonylacetamide, N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid
| Molecular Formula | C6H8N4O5S |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.02155 |
| Heavy Atoms | 16 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 80348-60-3 |
|---|---|
| SMILES | CC(=O)NS(=O)(=O)C1=C(N=CN1C)[N+](=O)[O-] |
| InChIKey | OMYCDQGFOXRCHJ-UHFFFAOYSA-N |
Product Overview
N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid (CAS 80348-60-3), with molecular formula C6H8N4O5S and molecular weight 248.02 g/mol. IUPAC: N-(3-methyl-5-nitroimidazol-4-yl)sulfonylacetamide.
Chemical Property Profile of N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid
Property Insights of N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid
The XLogP value of -0.6 indicates that N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid. Following Lipinski's Rule of Five, N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid has 1 hydrogen bond donor(s) and 6 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 N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid?
The CAS number of N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid is 80348-60-3.
What is the molecular formula of N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid?
The molecular formula of N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid is C6H8N4O5S.
What is the molecular weight of N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid?
The molecular weight of N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid is 248.02 g/mol.
Where can I buy N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid?
You can request a quote for N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.