![3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate structure](/static/products/1005/1005175-77-8.webp)
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005175-77-8) is a chemical compound with molecular formula C26H31NO7S and molecular weight 501.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-(2-ethylsulfanylethyl) 6-O-methyl 4-(4-acetyloxyphenyl)-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-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-(2-(ethylthio)ethyl) 6-methyl 4-(4-acetoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-O-(2-ethylsulfanylethyl) 6-O-methyl 4-(4-acetyloxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, 4-{3-[(2-ethylthioethyl)oxycarbonyl]-6-(methoxycarbonyl)-2,7-dimethyl-5-oxo-4- 1,4,6,7,8-pentahydroquinolyl}phenyl acetate
| Molecular Formula | C26H31NO7S |
|---|---|
| Molecular Weight | 501.18 g/mol |
| LogP | 3.5212 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.18213 |
| Heavy Atoms | 35 |
| Complexity | 1073.6761 |
Chemical Identifiers
| CAS Number | 1005175-77-8 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(C(C2)C)C(=O)OC)C |
Product Overview
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005175-77-8), with molecular formula C26H31NO7S and molecular weight 501.18 g/mol. IUPAC: 3-O-(2-ethylsulfanylethyl) 6-O-methyl 4-(4-acetyloxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
The XLogP value of 3.5212 indicates that 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 1005175-77-8.
What is the molecular formula of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C26H31NO7S.
What is the molecular weight of 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 501.18 g/mol.
Where can I buy 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-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.