1-Methyl-3-sulphonatopyridinium
TL;DR: 1-Methyl-3-sulphonatopyridinium (CAS 21876-47-1) is a chemical compound with molecular formula C6H7NO3S and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyridin-1-ium-3-sulfonate
Also Known As: 1-Methyl-3-sulphonatopyridinium, 1-methylpyridinium-3-sulfonate, 1-methylpyridin-1-ium-3-sulfonate, 1-METHYL-3-SULFONATOPYRIDINIUM, 1-METHYL-3-SULFOPYRIDINIUM BETAINE
| Molecular Formula | C6H7NO3S |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.01466 |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 21876-47-1 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)S(=O)(=O)[O-] |
| InChIKey | AVYIOHJNFRTXIT-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-sulphonatopyridinium (CAS 21876-47-1), with molecular formula C6H7NO3S and molecular weight 173.01 g/mol. IUPAC: 1-methylpyridin-1-ium-3-sulfonate.
Chemical Property Profile of 1-Methyl-3-sulphonatopyridinium
Property Insights of 1-Methyl-3-sulphonatopyridinium
The XLogP value of -0.4 indicates that 1-Methyl-3-sulphonatopyridinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-sulphonatopyridinium. Following Lipinski's Rule of Five, 1-Methyl-3-sulphonatopyridinium has 0 hydrogen bond donor(s) and 3 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-3-sulphonatopyridinium?
The CAS number of 1-Methyl-3-sulphonatopyridinium is 21876-47-1.
What is the molecular formula of 1-Methyl-3-sulphonatopyridinium?
The molecular formula of 1-Methyl-3-sulphonatopyridinium is C6H7NO3S.
What is the molecular weight of 1-Methyl-3-sulphonatopyridinium?
The molecular weight of 1-Methyl-3-sulphonatopyridinium is 173.01 g/mol.
Where can I buy 1-Methyl-3-sulphonatopyridinium?
You can request a quote for 1-Methyl-3-sulphonatopyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-sulphonatopyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-sulphonatopyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.