![methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate structure](/static/products/6906/690685-08-6.webp)
methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
TL;DR: methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690685-08-6) is a chemical compound with molecular formula C21H17FN2O6S and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-(4-(2-((4-fluorophenyl)amino)-2-oxoethoxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C21H17FN2O6S |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 3.0525 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.07913 |
| Heavy Atoms | 31 |
| Complexity | 1036.8405 |
Chemical Identifiers
| CAS Number | 690685-08-6 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)/SC1=O |
Product Overview
methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690685-08-6), with molecular formula C21H17FN2O6S and molecular weight 444.08 g/mol. IUPAC: methyl 2-[(5E)-5-[[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Property Insights of methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
The XLogP value of 3.0525 indicates that methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}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 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate has 1 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 [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The CAS number of methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 690685-08-6.
What is the molecular formula of methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular formula of methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C21H17FN2O6S.
What is the molecular weight of methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular weight of methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 444.08 g/mol.
Where can I buy methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
You can request a quote for methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}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-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(5E)-5-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.