![methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate structure](/static/products/6789/678985-66-5.webp)
methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
TL;DR: methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 678985-66-5) is a chemical compound with molecular formula C17H15NO6S and molecular weight 361.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, (E)-methyl 2-(5-(3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C17H15NO6S |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | 1.9165 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.062 |
| Heavy Atoms | 25 |
| Complexity | 779.833 |
Chemical Identifiers
| CAS Number | 678985-66-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC)OCC#C |
Product Overview
methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 678985-66-5), with molecular formula C17H15NO6S and molecular weight 361.06 g/mol. IUPAC: methyl 2-[(5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Property Insights of methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
The XLogP value of 1.9165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {(5E)-5-[3-methoxy-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-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate has 0 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-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The CAS number of methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 678985-66-5.
What is the molecular formula of methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular formula of methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is C17H15NO6S.
What is the molecular weight of methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular weight of methyl {(5E)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 361.06 g/mol.
Where can I buy methyl {(5E)-5-[3-methoxy-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-methoxy-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-methoxy-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-methoxy-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.