3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester
TL;DR: 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester (CAS 67343-98-0) is a chemical compound with molecular formula C10H10N4O5S and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-5-nitroimidazol-2-yl)methyl pyridine-3-sulfonate
Also Known As: (1-methyl-5-nitroimidazol-2-yl)methyl pyridine-3-sulfonate, 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester, (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl pyridine-3-sulfonate
| Molecular Formula | C10H10N4O5S |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0372 |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 67343-98-0 |
|---|---|
| SMILES | CN1C(=CN=C1COS(=O)(=O)C2=CN=CC=C2)[N+](=O)[O-] |
| InChIKey | FHGPLSAKXDUVNG-UHFFFAOYSA-N |
Product Overview
3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester (CAS 67343-98-0), with molecular formula C10H10N4O5S and molecular weight 298.04 g/mol. IUPAC: (1-methyl-5-nitroimidazol-2-yl)methyl pyridine-3-sulfonate.
Chemical Property Profile of 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester
Property Insights of 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester
The XLogP value of -0.1 indicates that 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester. Following Lipinski's Rule of Five, 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester has 0 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 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester?
The CAS number of 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester is 67343-98-0.
What is the molecular formula of 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester?
The molecular formula of 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester is C10H10N4O5S.
What is the molecular weight of 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester?
The molecular weight of 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester is 298.04 g/mol.
Where can I buy 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester?
You can request a quote for 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinesulfonic acid, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.