![methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate structure](/static/products/6766/676640-54-3.webp)
methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
TL;DR: methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 676640-54-3) is a chemical compound with molecular formula C16H11Cl2NO5S and molecular weight 398.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, (E)-methyl 2-(5-(3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C16H11Cl2NO5S |
|---|---|
| Molecular Weight | 398.97 g/mol |
| LogP | 3.2147 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.9735 |
| Heavy Atoms | 25 |
| Complexity | 792.22845 |
Chemical Identifiers
| CAS Number | 676640-54-3 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC(=C(C(=C2)Cl)OCC#C)Cl)/SC1=O |
Product Overview
methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 676640-54-3), with molecular formula C16H11Cl2NO5S and molecular weight 398.97 g/mol. IUPAC: methyl 2-[(5E)-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Property Insights of methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
The XLogP value of 3.2147 indicates that methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)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-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate. Following Lipinski's Rule of Five, methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)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-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The CAS number of methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 676640-54-3.
What is the molecular formula of methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular formula of methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is C16H11Cl2NO5S.
What is the molecular weight of methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular weight of methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 398.97 g/mol.
Where can I buy methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
You can request a quote for methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)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-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {(5E)-5-[3,5-dichloro-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.