2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 712296-42-9) is a chemical compound with molecular formula C24H21ClN2O2S and molecular weight 436.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-[(2-chlorobenzyl)sulfanyl]-5-hydroxy-4-(4-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 2-[(2-chlorophenyl)methylthio]-4-(4-methoxyphenyl)-5-oxo-1,4,6,7,8-pentahydroq uinoline-3-carbonitrile
| Molecular Formula | C24H21ClN2O2S |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 5.71108 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.10123 |
| Heavy Atoms | 30 |
| Complexity | 1083.1299 |
Chemical Identifiers
| CAS Number | 712296-42-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4Cl)C#N |
Product Overview
2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 712296-42-9), with molecular formula C24H21ClN2O2S and molecular weight 436.10 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 5.71108 indicates that 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 712296-42-9.
What is the molecular formula of 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C24H21ClN2O2S.
What is the molecular weight of 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 436.10 g/mol.
Where can I buy 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-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)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chlorobenzyl)thio)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.