6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 68192-59-6) is a chemical compound with molecular formula C13H9ClN2OS and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: Maybridge3_006852, 6-(4-chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, IDI1_018239, 6-(4-chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile, 6-(4-chlorophenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile
| Molecular Formula | C13H9ClN2OS |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 3.28888 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.01242 |
| Heavy Atoms | 18 |
| Complexity | 670.8711 |
Chemical Identifiers
| CAS Number | 68192-59-6 |
|---|---|
| SMILES | CSC1=C(C(=O)NC(=C1)C2=CC=C(C=C2)Cl)C#N |
Product Overview
6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 68192-59-6), with molecular formula C13H9ClN2OS and molecular weight 276.01 g/mol. IUPAC: 6-(4-chlorophenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 3.28888 indicates that 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile has 1 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-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 68192-59-6.
What is the molecular formula of 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is C13H9ClN2OS.
What is the molecular weight of 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 276.01 g/mol.
Where can I buy 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.