6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)
TL;DR: 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) (CAS 684231-37-6) is a chemical compound with molecular formula C15H8N4O6S2 and molecular weight 403.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5-carboxy-3-cyano-6-oxo-1H-pyridin-2-yl)sulfanylmethylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
Also Known As: 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid), 6,6'-(methanediyldisulfanediyl)bis(5-cyano-2-hydroxypyridine-3-carboxylic acid), 6-[(5-carboxy-3-cyano-6-oxo-1H-pyridin-2-yl)sulfanylmethylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
| Molecular Formula | C15H8N4O6S2 |
|---|---|
| Molecular Weight | 403.99 g/mol |
| LogP | 1.04486 |
| Topological Polar Surface Area | 187.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.98853 |
| Heavy Atoms | 27 |
| Complexity | 1049.4521 |
Chemical Identifiers
| CAS Number | 684231-37-6 |
|---|---|
| SMILES | C1=C(C(=O)NC(=C1C#N)SCSC2=C(C=C(C(=O)N2)C(=O)O)C#N)C(=O)O |
Product Overview
6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) (CAS 684231-37-6), with molecular formula C15H8N4O6S2 and molecular weight 403.99 g/mol. IUPAC: 6-[(5-carboxy-3-cyano-6-oxo-1H-pyridin-2-yl)sulfanylmethylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid.
Chemical Property Profile of 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)
Property Insights of 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)
The XLogP value of 1.04486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid). The TPSA of 187.9 Ų indicates high polarity, suggesting 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) has 4 hydrogen bond donor(s) and 8 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 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)?
The CAS number of 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) is 684231-37-6.
What is the molecular formula of 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)?
The molecular formula of 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) is C15H8N4O6S2.
What is the molecular weight of 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)?
The molecular weight of 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) is 403.99 g/mol.
Where can I buy 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)?
You can request a quote for 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid)?
Yes, KEHONG BIO provides custom synthesis services for 6,6'-(methylenebis(sulfanediyl))bis(5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.