dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
TL;DR: dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 351467-91-9) is a chemical compound with molecular formula C24H27NO5S3 and molecular weight 505.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-(1-BUTANOYL-2,2,6,8-TETRAMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(1-butyryl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-butyryl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C24H27NO5S3 |
|---|---|
| Molecular Weight | 505.11 g/mol |
| LogP | 5.30484 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.10513 |
| Heavy Atoms | 33 |
| Complexity | 1103.154 |
Chemical Identifiers
| CAS Number | 351467-91-9 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=C(C=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C)C |
Product Overview
dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 351467-91-9), with molecular formula C24H27NO5S3 and molecular weight 505.11 g/mol. IUPAC: dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Property Insights of dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 5.30484 indicates that dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-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 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate has 0 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 dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The CAS number of dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is 351467-91-9.
What is the molecular formula of dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is C24H27NO5S3.
What is the molecular weight of dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is 505.11 g/mol.
Where can I buy dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
You can request a quote for dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-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 dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(1-butanoyl-2,2,6,8-tetramethyl-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.