2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
TL;DR: 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CAS 500146-45-2) is a chemical compound with molecular formula C23H18Cl2N2OS and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 2-(benzylsulfanyl)-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-(benzylthio)-4-(2,3-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C23H18Cl2N2OS |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 6.35588 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0517 |
| Heavy Atoms | 29 |
| Complexity | 1070.0305 |
Chemical Identifiers
| CAS Number | 500146-45-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=C(C(=CC=C4)Cl)Cl)C(=O)C1 |
Product Overview
2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CAS 500146-45-2), with molecular formula C23H18Cl2N2OS and molecular weight 440.05 g/mol. IUPAC: 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Property Insights of 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
The XLogP value of 6.35588 indicates that 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-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-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The CAS number of 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is 500146-45-2.
What is the molecular formula of 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The molecular formula of 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is C23H18Cl2N2OS.
What is the molecular weight of 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The molecular weight of 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is 440.05 g/mol.
Where can I buy 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
You can request a quote for 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-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-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfanyl-4-(2,3-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.