1-Methyl-5-nitroimidazole-4-sulfonic acid
TL;DR: 1-Methyl-5-nitroimidazole-4-sulfonic acid (CAS 98019-80-8) is a chemical compound with molecular formula C4H5N3O5S and molecular weight 207.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-nitroimidazole-4-sulfonic acid
Also Known As: 1-methyl-5-nitroimidazole-4-sulfonic acid, 1-methyl-5-nitro-1H-imidazole-4-sulfonic acid
| Molecular Formula | C4H5N3O5S |
|---|---|
| Molecular Weight | 207.00 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.995 |
| Heavy Atoms | 13 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 98019-80-8 |
|---|---|
| SMILES | CN1C=NC(=C1[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | WAJLDSJXIQFVLG-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-nitroimidazole-4-sulfonic acid (CAS 98019-80-8), with molecular formula C4H5N3O5S and molecular weight 207.00 g/mol. IUPAC: 1-methyl-5-nitroimidazole-4-sulfonic acid.
Chemical Property Profile of 1-Methyl-5-nitroimidazole-4-sulfonic acid
Property Insights of 1-Methyl-5-nitroimidazole-4-sulfonic acid
The XLogP value of -1.2 indicates that 1-Methyl-5-nitroimidazole-4-sulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-nitroimidazole-4-sulfonic acid. Following Lipinski's Rule of Five, 1-Methyl-5-nitroimidazole-4-sulfonic 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 1-Methyl-5-nitroimidazole-4-sulfonic acid?
The CAS number of 1-Methyl-5-nitroimidazole-4-sulfonic acid is 98019-80-8.
What is the molecular formula of 1-Methyl-5-nitroimidazole-4-sulfonic acid?
The molecular formula of 1-Methyl-5-nitroimidazole-4-sulfonic acid is C4H5N3O5S.
What is the molecular weight of 1-Methyl-5-nitroimidazole-4-sulfonic acid?
The molecular weight of 1-Methyl-5-nitroimidazole-4-sulfonic acid is 207.00 g/mol.
Where can I buy 1-Methyl-5-nitroimidazole-4-sulfonic acid?
You can request a quote for 1-Methyl-5-nitroimidazole-4-sulfonic 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-5-nitroimidazole-4-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-nitroimidazole-4-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.