![2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile structure](/static/products/3708/370848-20-7.webp)
2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 370848-20-7) is a chemical compound with molecular formula C17H13ClN2OS2 and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-((2-chlorobenzyl)thio)-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-6-OXO-4-(THIOPHEN-2-YL)-1,4,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
| Molecular Formula | C17H13ClN2OS2 |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 4.67358 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.01578 |
| Heavy Atoms | 23 |
| Complexity | 793.17474 |
Chemical Identifiers
| CAS Number | 370848-20-7 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC2=CC=CC=C2Cl)C#N)C3=CC=CS3 |
Product Overview
2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 370848-20-7), with molecular formula C17H13ClN2OS2 and molecular weight 360.02 g/mol. IUPAC: 6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 4.67358 indicates that 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is 370848-20-7.
What is the molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is C17H13ClN2OS2.
What is the molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile is 360.02 g/mol.
Where can I buy 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chlorobenzyl)sulfanyl]-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.