![methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate structure](/static/products/3075/307538-74-5.webp)
methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate
TL;DR: methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate (CAS 307538-74-5) is a chemical compound with molecular formula C13H10FNO3S2 and molecular weight 311.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: BAS 02169140, BIM-0031138.P001, methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate, methyl 2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
| Molecular Formula | C13H10FNO3S2 |
|---|---|
| Molecular Weight | 311.01 g/mol |
| LogP | 2.1999 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0086 |
| Heavy Atoms | 20 |
| Complexity | 615.38873 |
Chemical Identifiers
| CAS Number | 307538-74-5 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=CC=C2F)/SC1=S |
Product Overview
methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate (CAS 307538-74-5), with molecular formula C13H10FNO3S2 and molecular weight 311.01 g/mol. IUPAC: methyl 2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate
Property Insights of methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate
The XLogP value of 2.1999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate. With a topological polar surface area (TPSA) of 46.61 Ų, methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-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-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate?
The CAS number of methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate is 307538-74-5.
What is the molecular formula of methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate?
The molecular formula of methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate is C13H10FNO3S2.
What is the molecular weight of methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate?
The molecular weight of methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate is 311.01 g/mol.
Where can I buy methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate?
You can request a quote for methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-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-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.