![ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate structure](/static/products/4319/431925-00-7.webp)
ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
TL;DR: ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 431925-00-7) is a chemical compound with molecular formula C21H18N2O7S and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5E)-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-ethyl 2-(5-(4-((3-nitrobenzyl)oxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, ethyl 2-[(5E)-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C21H18N2O7S |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 3.7732 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.08347 |
| Heavy Atoms | 31 |
| Complexity | 1049.9487 |
Chemical Identifiers
| CAS Number | 431925-00-7 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])/SC1=O |
Product Overview
ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 431925-00-7), with molecular formula C21H18N2O7S and molecular weight 442.08 g/mol. IUPAC: ethyl 2-[(5E)-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Property Insights of ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
The XLogP value of 3.7732 indicates that ethyl [(5E)-5-{4-[(3-nitrobenzyl)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 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate has 0 hydrogen bond donor(s) and 8 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 ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The CAS number of ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 431925-00-7.
What is the molecular formula of ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular formula of ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C21H18N2O7S.
What is the molecular weight of ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular weight of ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 442.08 g/mol.
Where can I buy ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
You can request a quote for ethyl [(5E)-5-{4-[(3-nitrobenzyl)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 ethyl [(5E)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(5E)-5-{4-[(3-nitrobenzyl)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.