6-Mercaptopyridine-3,4-dicarboxylic acid
TL;DR: 6-Mercaptopyridine-3,4-dicarboxylic acid (CAS 219657-44-0) is a chemical compound with molecular formula C7H5NO4S and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-sulfanylidene-1H-pyridine-3,4-dicarboxylic acid
Also Known As: 6-MERCAPTOPYRIDINE-3,4-DICARBOXYLIC ACID, 3-Fluoro-6-methoxythiophenol, 6-sulfanylidene-1H-pyridine-3,4-dicarboxylic Acid, 5-METHOXY-4-OXOCHROMENE-3-CARBONITRILE, 6-MERCAPTOPYRIDINE-3,4-DICARBOXYLICACID
| Molecular Formula | C7H5NO4S |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 1.14059 |
| Topological Polar Surface Area | 90.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.99393 |
| Heavy Atoms | 13 |
| Complexity | 422.74588 |
Chemical Identifiers
| CAS Number | 219657-44-0 |
|---|---|
| SMILES | C1=C(C(=CNC1=S)C(=O)O)C(=O)O |
Product Overview
6-Mercaptopyridine-3,4-dicarboxylic acid (CAS 219657-44-0), with molecular formula C7H5NO4S and molecular weight 198.99 g/mol. IUPAC: 6-sulfanylidene-1H-pyridine-3,4-dicarboxylic acid.
Chemical Property Profile of 6-Mercaptopyridine-3,4-dicarboxylic acid
Property Insights of 6-Mercaptopyridine-3,4-dicarboxylic acid
The XLogP value of 1.14059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Mercaptopyridine-3,4-dicarboxylic acid. The TPSA of 90.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Mercaptopyridine-3,4-dicarboxylic acid. Following Lipinski's Rule of Five, 6-Mercaptopyridine-3,4-dicarboxylic acid has 3 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 6-Mercaptopyridine-3,4-dicarboxylic acid?
The CAS number of 6-Mercaptopyridine-3,4-dicarboxylic acid is 219657-44-0.
What is the molecular formula of 6-Mercaptopyridine-3,4-dicarboxylic acid?
The molecular formula of 6-Mercaptopyridine-3,4-dicarboxylic acid is C7H5NO4S.
What is the molecular weight of 6-Mercaptopyridine-3,4-dicarboxylic acid?
The molecular weight of 6-Mercaptopyridine-3,4-dicarboxylic acid is 198.99 g/mol.
Where can I buy 6-Mercaptopyridine-3,4-dicarboxylic acid?
You can request a quote for 6-Mercaptopyridine-3,4-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Mercaptopyridine-3,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Mercaptopyridine-3,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.