![methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate structure](/static/products/6906/690686-99-8.webp)
methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
TL;DR: methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690686-99-8) is a chemical compound with molecular formula C20H16FNO5S and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-(4-((3-fluorobenzyl)oxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C20H16FNO5S |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 3.614 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.07333 |
| Heavy Atoms | 28 |
| Complexity | 941.8672 |
Chemical Identifiers
| CAS Number | 690686-99-8 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC(=CC=C3)F)/SC1=O |
Product Overview
methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690686-99-8), with molecular formula C20H16FNO5S and molecular weight 401.07 g/mol. IUPAC: methyl 2-[(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Property Insights of methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
The XLogP value of 3.614 indicates that methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate has 0 hydrogen bond donor(s) and 6 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-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The CAS number of methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 690686-99-8.
What is the molecular formula of methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular formula of methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C20H16FNO5S.
What is the molecular weight of methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular weight of methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 401.07 g/mol.
Where can I buy methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
You can request a quote for methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-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-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(5E)-5-{4-[(3-fluorobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.