![ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate structure](/static/products/431/431998-54-8.png)
ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate
TL;DR: ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate (CAS 431998-54-8) is a chemical compound with molecular formula C17H15NO5S and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5E)-2,4-dioxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
Also Known As: ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate, (E)-ethyl 2-(2,4-dioxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-3-yl)acetate, ethyl 2-[(5E)-2,4-dioxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C17H15NO5S |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 2.298 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.0671 |
| Heavy Atoms | 24 |
| Complexity | 717.4916 |
Chemical Identifiers
| CAS Number | 431998-54-8 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)OCC#C)/SC1=O |
Product Overview
ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate (CAS 431998-54-8), with molecular formula C17H15NO5S and molecular weight 345.07 g/mol. IUPAC: ethyl 2-[(5E)-2,4-dioxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate
Property Insights of ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate
The XLogP value of 2.298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate. Following Lipinski's Rule of Five, ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-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 ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate?
The CAS number of ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate is 431998-54-8.
What is the molecular formula of ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate?
The molecular formula of ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate is C17H15NO5S.
What is the molecular weight of ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate?
The molecular weight of ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate is 345.07 g/mol.
Where can I buy ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate?
You can request a quote for ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-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)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {(5E)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.