![2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate structure](/static/products/3290/329073-70-3.webp)
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 329073-70-3) is a chemical compound with molecular formula C29H33ClN2O3S and molecular weight 524.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 7-(4-chlorophenyl)-4-(4-(dimethylamino)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 7-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-ethylsulfanylethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-ethylthioethyl 4-[4-(dimethylamino)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo -1,4,6,7,8-pentahydroquinoline-3-carboxylate
| Molecular Formula | C29H33ClN2O3S |
|---|---|
| Molecular Weight | 524.19 g/mol |
| LogP | 6.0639 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.19006 |
| Heavy Atoms | 36 |
| Complexity | 1186.0049 |
Chemical Identifiers
| CAS Number | 329073-70-3 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C |
Product Overview
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 329073-70-3), with molecular formula C29H33ClN2O3S and molecular weight 524.19 g/mol. IUPAC: 2-ethylsulfanylethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 6.0639 indicates that 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 329073-70-3.
What is the molecular formula of 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C29H33ClN2O3S.
What is the molecular weight of 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 524.19 g/mol.
Where can I buy 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.