![methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate structure](/static/products/6906/690695-51-3.webp)
methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
TL;DR: methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690695-51-3) is a chemical compound with molecular formula C13H10FNO4S and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-(4-fluorobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C13H10FNO4S |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 2.035 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.03146 |
| Heavy Atoms | 20 |
| Complexity | 596.8937 |
Chemical Identifiers
| CAS Number | 690695-51-3 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)F)/SC1=O |
Product Overview
methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690695-51-3), with molecular formula C13H10FNO4S and molecular weight 295.03 g/mol. IUPAC: methyl 2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Property Insights of methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
The XLogP value of 2.035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate has 0 hydrogen bond donor(s) and 5 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 [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The CAS number of methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 690695-51-3.
What is the molecular formula of methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular formula of methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C13H10FNO4S.
What is the molecular weight of methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular weight of methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 295.03 g/mol.
Where can I buy methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
You can request a quote for methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.