4-Pyridinesulfonic acid, 1-oxide
TL;DR: 4-Pyridinesulfonic acid, 1-oxide (CAS 6141-61-3) is a chemical compound with molecular formula C5H5NO4S and molecular weight 174.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxidopyridin-1-ium-4-sulfonic acid
Also Known As: 4-pyridinesulfonic acid, 1-oxide, 1-oxidopyridin-1-ium-4-sulfonic acid, 1-oxy-pyridine-4-sulfonic acid, 1-hydroxypyridine-4-sulfonic acid, pyridine-4-sulfonic acid 1-oxide
| Molecular Formula | C5H5NO4S |
|---|---|
| Molecular Weight | 174.99 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.99393 |
| Heavy Atoms | 11 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 6141-61-3 |
|---|---|
| SMILES | C1=C[N+](=CC=C1S(=O)(=O)O)[O-] |
| InChIKey | STAMZLLSEWUSJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pyridinesulfonic acid, 1-oxide (CAS 6141-61-3), with molecular formula C5H5NO4S and molecular weight 174.99 g/mol. IUPAC: 1-oxidopyridin-1-ium-4-sulfonic acid.
Chemical Property Profile of 4-Pyridinesulfonic acid, 1-oxide
Property Insights of 4-Pyridinesulfonic acid, 1-oxide
The XLogP value of -1.4 indicates that 4-Pyridinesulfonic acid, 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyridinesulfonic acid, 1-oxide. Following Lipinski's Rule of Five, 4-Pyridinesulfonic acid, 1-oxide has 1 hydrogen bond donor(s) and 4 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 4-Pyridinesulfonic acid, 1-oxide?
The CAS number of 4-Pyridinesulfonic acid, 1-oxide is 6141-61-3.
What is the molecular formula of 4-Pyridinesulfonic acid, 1-oxide?
The molecular formula of 4-Pyridinesulfonic acid, 1-oxide is C5H5NO4S.
What is the molecular weight of 4-Pyridinesulfonic acid, 1-oxide?
The molecular weight of 4-Pyridinesulfonic acid, 1-oxide is 174.99 g/mol.
Where can I buy 4-Pyridinesulfonic acid, 1-oxide?
You can request a quote for 4-Pyridinesulfonic acid, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinesulfonic acid, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinesulfonic acid, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.