dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
TL;DR: dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 522659-31-0) is a chemical compound with molecular formula C26H31NO5S3 and molecular weight 533.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C26H31NO5S3 |
|---|---|
| Molecular Weight | 533.14 g/mol |
| LogP | 6.1043 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.1364 |
| Heavy Atoms | 35 |
| Complexity | 1085.7389 |
Chemical Identifiers
| CAS Number | 522659-31-0 |
|---|---|
| SMILES | CCCC(CCC)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 522659-31-0), with molecular formula C26H31NO5S3 and molecular weight 533.14 g/mol. IUPAC: dimethyl 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Property Insights of dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 6.1043 indicates that dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-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-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-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-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The CAS number of dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is 522659-31-0.
What is the molecular formula of dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is C26H31NO5S3.
What is the molecular weight of dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate is 533.14 g/mol.
Where can I buy dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
You can request a quote for dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-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-(2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(2,2-dimethyl-1-(2-propylpentanoyl)-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.