dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
TL;DR: dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 351224-81-2) is a chemical compound with molecular formula C24H25NO6S3 and molecular weight 519.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-[(E)-but-2-enoyl]-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, (E)-dimethyl 2-(1-(but-2-enoyl)-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-{1-[(2E)-BUT-2-ENOYL]-6-ETHOXY-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE}-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-[1-[(E)-but-2-enoyl]-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-{1-[(2E)-but-2-enoyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C24H25NO6S3 |
|---|---|
| Molecular Weight | 519.08 g/mol |
| LogP | 4.8627 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.0844 |
| Heavy Atoms | 34 |
| Complexity | 1135.2395 |
Chemical Identifiers
| CAS Number | 351224-81-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)/C=C/C |
Product Overview
dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 351224-81-2), with molecular formula C24H25NO6S3 and molecular weight 519.08 g/mol. IUPAC: dimethyl 2-[1-[(E)-but-2-enoyl]-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
Property Insights of dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 4.8627 indicates that dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-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 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-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-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate has 0 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 dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate?
The CAS number of dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate is 351224-81-2.
What is the molecular formula of dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate is C24H25NO6S3.
What is the molecular weight of dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate is 519.08 g/mol.
Where can I buy dimethyl 2-(1-(2-butenoyl)-6-(ethyloxy)-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-(1-(2-butenoyl)-6-(ethyloxy)-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-(1-(2-butenoyl)-6-(ethyloxy)-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-(1-(2-butenoyl)-6-(ethyloxy)-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.