![dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate structure](/static/products/3163/316358-45-9.webp)
dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
TL;DR: dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 316358-45-9) is a chemical compound with molecular formula C28H26FNO7S3 and molecular weight 603.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[8-ethoxy-1-[2-(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[8-ethoxy-1-[2-(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(8-ethoxy-1-(2-(4-fluorophenoxy)acetyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-{8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C28H26FNO7S3 |
|---|---|
| Molecular Weight | 603.09 g/mol |
| LogP | 5.5047 |
| Topological Polar Surface Area | 91.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 603.0856 |
| Heavy Atoms | 40 |
| Complexity | 1420.2985 |
Chemical Identifiers
| CAS Number | 316358-45-9 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)COC4=CC=C(C=C4)F |
Product Overview
dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 316358-45-9), with molecular formula C28H26FNO7S3 and molecular weight 603.09 g/mol. IUPAC: dimethyl 2-[8-ethoxy-1-[2-(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
Property Insights of dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 5.5047 indicates that dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.37 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate?
The CAS number of dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate is 316358-45-9.
What is the molecular formula of dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate is C28H26FNO7S3.
What is the molecular weight of dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate is 603.09 g/mol.
Where can I buy dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate?
You can request a quote for dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(8-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.