![methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate structure](/static/products/3048/304864-06-0.webp)
methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate
TL;DR: methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate (CAS 304864-06-0) is a chemical compound with molecular formula C16H18N2O6S4 and molecular weight 462.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate, (E)-dimethyl 4,4'-(4,4'-dioxo-2,2'-dithioxo-2H,2'H-[5,5'-bithiazolylidene]-3,3'(4H,4'H)-diyl)dibutanoate, methyl 4-(5-{3-[3-(methoxycarbonyl)propyl]-4-oxo-2-thioxo(1,3-thiazolidin-5-yl idene)}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoate, methyl 4-[(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
| Molecular Formula | C16H18N2O6S4 |
|---|---|
| Molecular Weight | 462.00 g/mol |
| LogP | 1.825 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.00476 |
| Heavy Atoms | 28 |
| Complexity | 704.23346 |
Chemical Identifiers
| CAS Number | 304864-06-0 |
|---|---|
| SMILES | COC(=O)CCCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCCC(=O)OC)/SC1=S |
Product Overview
methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate (CAS 304864-06-0), with molecular formula C16H18N2O6S4 and molecular weight 462.00 g/mol. IUPAC: methyl 4-[(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate
Property Insights of methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate
The XLogP value of 1.825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate. Following Lipinski's Rule of Five, methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
The CAS number of methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate is 304864-06-0.
What is the molecular formula of methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
The molecular formula of methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate is C16H18N2O6S4.
What is the molecular weight of methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
The molecular weight of methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate is 462.00 g/mol.
Where can I buy methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
You can request a quote for methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{(5E)-5-[3-(4-methoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.