4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 303042-24-2) is a chemical compound with molecular formula C29H21ClN2O4S and molecular weight 528.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile
Also Known As: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile, 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C29H21ClN2O4S |
|---|---|
| Molecular Weight | 528.09 g/mol |
| LogP | 6.51018 |
| Topological Polar Surface Area | 101.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.09106 |
| Heavy Atoms | 37 |
| Complexity | 1683.7035 |
Chemical Identifiers
| CAS Number | 303042-24-2 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)Cl)C |
Product Overview
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 303042-24-2), with molecular formula C29H21ClN2O4S and molecular weight 528.09 g/mol. IUPAC: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 6.51018 indicates that 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 303042-24-2.
What is the molecular formula of 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C29H21ClN2O4S.
What is the molecular weight of 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 528.09 g/mol.
Where can I buy 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.