4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
TL;DR: 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 197569-80-5) is a chemical compound with molecular formula C12H9ClN2OS and molecular weight 264.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(2-chlorophenyl)-6-hydroxy-2-sulfanyl-4,5-dihydropyridine-3-carbonitrile, 4-(2-chlorophenyl)-2-mercapto-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(2-chlorophenyl)-6-oxo-2-sulfanyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C12H9ClN2OS |
|---|---|
| Molecular Weight | 264.01 g/mol |
| LogP | 2.60848 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.01242 |
| Heavy Atoms | 17 |
| Complexity | 547.68176 |
Chemical Identifiers
| CAS Number | 197569-80-5 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)S)C#N)C2=CC=CC=C2Cl |
Product Overview
4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 197569-80-5), with molecular formula C12H9ClN2OS and molecular weight 264.01 g/mol. IUPAC: 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Property Insights of 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
The XLogP value of 2.60848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile has 2 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 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The CAS number of 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is 197569-80-5.
What is the molecular formula of 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular formula of 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is C12H9ClN2OS.
What is the molecular weight of 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular weight of 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is 264.01 g/mol.
Where can I buy 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
You can request a quote for 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chlorophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.