4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid
TL;DR: 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid (CAS 95733-85-0) is a chemical compound with molecular formula C12H9NO6S and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid
Also Known As: 4-oxo-1-(4-sulfophenyl)pyridine-2-carboxylic Acid, 1,4-dihydro-4-oxo-1-(4-sulfophenyl)-2-pyridinecarboxylic acid
| Molecular Formula | C12H9NO6S |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 0.7824 |
| Topological Polar Surface Area | 113.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.01505 |
| Heavy Atoms | 20 |
| Complexity | 819.7712 |
Chemical Identifiers
| CAS Number | 95733-85-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=CC(=O)C=C2C(=O)O)S(=O)(=O)O |
Product Overview
4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid (CAS 95733-85-0), with molecular formula C12H9NO6S and molecular weight 295.02 g/mol. IUPAC: 4-oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid.
Chemical Property Profile of 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid
Property Insights of 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid
The XLogP value of 0.7824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid. The TPSA of 113.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid has 2 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-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid?
The CAS number of 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid is 95733-85-0.
What is the molecular formula of 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid?
The molecular formula of 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid is C12H9NO6S.
What is the molecular weight of 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid?
The molecular weight of 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid is 295.02 g/mol.
Where can I buy 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid?
You can request a quote for 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1-(4-sulfophenyl)pyridine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.