![methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate structure](/static/products/680/680994-93-8.png)
methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
TL;DR: methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 680994-93-8) is a chemical compound with molecular formula C19H22ClNO6S and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, (E)-methyl 2-(5-(4-(sec-butoxy)-3-chloro-5-ethoxybenzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[(4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C19H22ClNO6S |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 4.1253 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.08563 |
| Heavy Atoms | 28 |
| Complexity | 809.85876 |
Chemical Identifiers
| CAS Number | 680994-93-8 |
|---|---|
| SMILES | CCC(C)OC1=C(C=C(C=C1Cl)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC)OCC |
Product Overview
methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 680994-93-8), with molecular formula C19H22ClNO6S and molecular weight 427.09 g/mol. IUPAC: methyl 2-[(5E)-5-[(4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Property Insights of methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
The XLogP value of 4.1253 indicates that methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-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 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate. Following Lipinski's Rule of Five, methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-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-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The CAS number of methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 680994-93-8.
What is the molecular formula of methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular formula of methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is C19H22ClNO6S.
What is the molecular weight of methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular weight of methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 427.09 g/mol.
Where can I buy methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
You can request a quote for methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-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-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {(5E)-5-[4-(butan-2-yloxy)-3-chloro-5-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.