ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
TL;DR: ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate (CAS 354540-56-0) is a chemical compound with molecular formula C26H25NO3S3 and molecular weight 495.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C26H25NO3S3 |
|---|---|
| Molecular Weight | 495.10 g/mol |
| LogP | 6.59052 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.09967 |
| Heavy Atoms | 33 |
| Complexity | 1228.5981 |
Chemical Identifiers
| CAS Number | 354540-56-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C)/S1)C4=CC=CC=C4 |
Product Overview
ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate (CAS 354540-56-0), with molecular formula C26H25NO3S3 and molecular weight 495.10 g/mol. IUPAC: ethyl (2Z)-2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Property Insights of ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
The XLogP value of 6.59052 indicates that ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
The CAS number of ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate is 354540-56-0.
What is the molecular formula of ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
The molecular formula of ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate is C26H25NO3S3.
What is the molecular weight of ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
The molecular weight of ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate is 495.10 g/mol.
Where can I buy ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
You can request a quote for ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.