![3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate structure](/static/products/1005/1005276-00-5.webp)
3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
TL;DR: 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005276-00-5) is a chemical compound with molecular formula C25H29NO7S and molecular weight 487.17 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-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-[2-(ETHYLSULFANYL)ETHYL] 6-METHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3,6-DICARBOXYLATE, 3-O-(2-ethylsulfanylethyl) 6-O-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, methyl 4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-[(2-ethylthioethyl)oxycarbonyl]- 2,7-dimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-6-carboxylate
| Molecular Formula | C25H29NO7S |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 3.3246 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.16647 |
| Heavy Atoms | 34 |
| Complexity | 1077.0225 |
Chemical Identifiers
| CAS Number | 1005276-00-5 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)C(C(C2)C)C(=O)OC)C |
Product Overview
3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005276-00-5), with molecular formula C25H29NO7S and molecular weight 487.17 g/mol. IUPAC: 3-O-(2-ethylsulfanylethyl) 6-O-methyl 4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Property Insights of 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
The XLogP value of 3.3246 indicates that 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-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 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The CAS number of 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 1005276-00-5.
What is the molecular formula of 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular formula of 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C25H29NO7S.
What is the molecular weight of 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular weight of 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 487.17 g/mol.
Where can I buy 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
You can request a quote for 3-(2-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-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-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-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-(ethylthio)ethyl) 6-methyl 4-(benzo[d][1,3]dioxol-5-yl)-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.