6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid
TL;DR: 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid (CAS 384356-93-8) is a chemical compound with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
Also Known As: 6-benzylsulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid, 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid, 6-(benzylthio)-5-cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 6-(Benzylsulfanyl)-5-cyano-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid #
| Molecular Formula | C14H10N2O3S |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0412 |
| Heavy Atoms | 20 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 384356-93-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C=C(C(=O)N2)C(=O)O)C#N |
| InChIKey | FXURAPGIOUBECW-UHFFFAOYSA-N |
Product Overview
6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid (CAS 384356-93-8), with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol. IUPAC: 6-benzylsulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid.
Chemical Property Profile of 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid
Property Insights of 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid?
The CAS number of 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid is 384356-93-8.
What is the molecular formula of 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid?
The molecular formula of 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid is C14H10N2O3S.
What is the molecular weight of 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid?
The molecular weight of 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid is 286.04 g/mol.
Where can I buy 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid?
You can request a quote for 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-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-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylsulfanyl-5-cyano-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.