diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
TL;DR: diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 296272-64-5) is a chemical compound with molecular formula C21H23NO4S3 and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, BAS 00225076, diethyl 2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-diethyl 2-(2,2,7-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate, 1,3-dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene)-, diethyl ester
| Molecular Formula | C21H23NO4S3 |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 5.05542 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.07892 |
| Heavy Atoms | 29 |
| Complexity | 930.6729 |
Chemical Identifiers
| CAS Number | 296272-64-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)NC(C2=S)(C)C)S1)C(=O)OCC |
Product Overview
diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 296272-64-5), with molecular formula C21H23NO4S3 and molecular weight 449.08 g/mol. IUPAC: diethyl 2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Property Insights of diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 5.05542 indicates that diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The CAS number of diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is 296272-64-5.
What is the molecular formula of diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is C21H23NO4S3.
What is the molecular weight of diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is 449.08 g/mol.
Where can I buy diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
You can request a quote for diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-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 diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.