![3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate structure](/static/products/1005/1005276-02-7.webp)
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
TL;DR: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005276-02-7) is a chemical compound with molecular formula C24H27ClFNO5S and molecular weight 495.12823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O-(2-ethylsulfanylethyl) 6-O-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-(2-(ethylthio)ethyl) 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-O-(2-ethylsulfanylethyl) 6-O-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, methyl 4-(4-chloro-3-fluorophenyl)-3-[(2-ethylthioethyl)oxycarbonyl]-2,7-dimet hyl-5-oxo-1,4,6,7,8-pentahydroquinoline-6-carboxylate
Technical Specifications
| Molecular Formula | C24H27ClFNO5S |
| Molecular Weight | 495.12823 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.12823 Da |
| Heavy Atoms | 33 |
| Complexity | 860.0 |
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)F)C(=O)C(C(C2)C)C(=O)OC)C |
| InChIKey | GDALDTMGNWGZOM-UHFFFAOYSA-N |
Product Description
Applications: AC1N3X09 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N3X09 (CAS 1005276-02-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1N3X09 is a fine chemical identified by CAS number 1005276-02-7 and the molecular formula C24H27ClFNO5S and a molecular weight of 495.13 g/mol. It is also known as 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate and 3-(2-(ethylthio)ethyl) 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Property Insights of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
The XLogP value of 4.7 indicates that 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-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 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-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 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The CAS number of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 1005276-02-7.
What is the molecular formula of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular formula of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C24H27ClFNO5S.
What is the molecular weight of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular weight of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 495.12823 g/mol.
What are the applications of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
AC1N3X09 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N3X09 (CAS 1005276-02-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
You can request a quote for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-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 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-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 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-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.