![methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate structure](/static/products/3031/303117-34-2.webp)
methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
TL;DR: methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate (CAS 303117-34-2) is a chemical compound with molecular formula C16H17NO5S2 and molecular weight 367.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate, (E)-methyl 3-(5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate, methyl 3-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate, methyl 3-{5-[(2,5-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3- yl}propanoate
| Molecular Formula | C16H17NO5S2 |
|---|---|
| Molecular Weight | 367.05 g/mol |
| LogP | 2.4681 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.0548 |
| Heavy Atoms | 24 |
| Complexity | 701.70825 |
Chemical Identifiers
| CAS Number | 303117-34-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)OC |
Product Overview
methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate (CAS 303117-34-2), with molecular formula C16H17NO5S2 and molecular weight 367.05 g/mol. IUPAC: methyl 3-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Property Insights of methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
The XLogP value of 2.4681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate. Following Lipinski's Rule of Five, methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate has 0 hydrogen bond donor(s) and 7 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 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate?
The CAS number of methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate is 303117-34-2.
What is the molecular formula of methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular formula of methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate is C16H17NO5S2.
What is the molecular weight of methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular weight of methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate is 367.05 g/mol.
Where can I buy methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate?
You can request a quote for methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(5E)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.