![dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate structure](/static/products/5302/5302-45-4.webp)
dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
TL;DR: dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate (CAS 5302-45-4) is a chemical compound with molecular formula C26H22INO6S3 and molecular weight 666.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C26H22INO6S3 |
|---|---|
| Molecular Weight | 666.97 g/mol |
| LogP | 5.8149 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 666.9654 |
| Heavy Atoms | 37 |
| Complexity | 1367.5221 |
Chemical Identifiers
| CAS Number | 5302-45-4 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=C(C=C4)I)C=C(C=C3)OC)C |
Product Overview
dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate (CAS 5302-45-4), with molecular formula C26H22INO6S3 and molecular weight 666.97 g/mol. IUPAC: dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Property Insights of dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 5.8149 indicates that dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-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-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-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-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate?
The CAS number of dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate is 5302-45-4.
What is the molecular formula of dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate is C26H22INO6S3.
What is the molecular weight of dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate is 666.97 g/mol.
Where can I buy dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate?
You can request a quote for dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-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-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.