![methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate structure](/static/products/6802/680200-89-9.webp)
methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate
TL;DR: methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate (CAS 680200-89-9) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-2,4-dioxo-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate, (E)-methyl 2-(2,4-dioxo-5-(4-(pyrrolidin-1-yl)benzylidene)thiazolidin-3-yl)acetate, methyl 2-[(5E)-2,4-dioxo-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.4961 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 693.047 |
Chemical Identifiers
| CAS Number | 680200-89-9 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)N3CCCC3)/SC1=O |
Product Overview
methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate (CAS 680200-89-9), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: methyl 2-[(5E)-2,4-dioxo-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate
Property Insights of methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate
The XLogP value of 2.4961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate. Following Lipinski's Rule of Five, methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)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 methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate?
The CAS number of methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate is 680200-89-9.
What is the molecular formula of methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate?
The molecular formula of methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate is C17H18N2O4S.
What is the molecular weight of methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate?
The molecular weight of methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate is 346.10 g/mol.
Where can I buy methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate?
You can request a quote for methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)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 methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {(5E)-2,4-dioxo-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.