![3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate structure](/static/products/1005/1005050-88-3.webp)
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
TL;DR: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005050-88-3) is a chemical compound with molecular formula C23H29NO5S2 and molecular weight 463.1487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O-(2-ethylsulfanylethyl) 6-O-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-(2-(ethylthio)ethyl) 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-O-(2-ethylsulfanylethyl) 6-O-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, methyl 3-[(2-ethylthioethyl)oxycarbonyl]-2,7-dimethyl-4-(5-methyl(2-thienyl))- 5-oxo-1,4,6,7,8-pentahydroquinoline-6-carboxylate
Technical Specifications
| Molecular Formula | C23H29NO5S2 |
| Molecular Weight | 463.1487 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.1487 Da |
| Heavy Atoms | 31 |
| Complexity | 806.0 |
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(S3)C)C(=O)C(C(C2)C)C(=O)OC)C |
| InChIKey | XKNKDKXAMCYBQW-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Property Insights of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
The XLogP value of 4.1 indicates that 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The CAS number of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 1005050-88-3.
What is the molecular formula of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular formula of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C23H29NO5S2.
What is the molecular weight of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular weight of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 463.1487 g/mol.
Where can I buy 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
You can request a quote for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.