(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid
TL;DR: (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid (CAS 88394-35-8) is a chemical compound with molecular formula C6H7N3O6S and molecular weight 249.01 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)sulfonylacetic acid
Also Known As: 2-(3-methyl-5-nitroimidazol-4-yl)sulfonylacetic acid, (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid
| Molecular Formula | C6H7N3O6S |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.00555 |
| Heavy Atoms | 16 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 88394-35-8 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)(=O)CC(=O)O)[N+](=O)[O-] |
| InChIKey | XUAANTMRDWBULQ-UHFFFAOYSA-N |
Product Overview
(1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid (CAS 88394-35-8), with molecular formula C6H7N3O6S and molecular weight 249.01 g/mol. IUPAC: 2-(3-methyl-5-nitroimidazol-4-yl)sulfonylacetic acid.
Chemical Property Profile of (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid
Property Insights of (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid
The XLogP value of -0.5 indicates that (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid has 1 hydrogen bond donor(s) and 7 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-4-nitro-1H-imidazole-5-sulfonyl)acetic acid?
The CAS number of (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid is 88394-35-8.
What is the molecular formula of (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid?
The molecular formula of (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid is C6H7N3O6S.
What is the molecular weight of (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid?
The molecular weight of (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid is 249.01 g/mol.
Where can I buy (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid?
You can request a quote for (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1-Methyl-4-nitro-1H-imidazole-5-sulfonyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.