![methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate structure](/static/products/6906/690686-37-4.webp)
methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
TL;DR: methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 690686-37-4) is a chemical compound with molecular formula C17H15BrClNO7S and molecular weight 490.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, (E)-ethyl 2-(2-bromo-6-chloro-4-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)acetate, methyl 2-[(5E)-5-[[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C17H15BrClNO7S |
|---|---|
| Molecular Weight | 490.94 g/mol |
| LogP | 3.2537 |
| Topological Polar Surface Area | 99.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.94412 |
| Heavy Atoms | 28 |
| Complexity | 834.90283 |
Chemical Identifiers
| CAS Number | 690686-37-4 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1Br)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC)Cl |
Product Overview
methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 690686-37-4), with molecular formula C17H15BrClNO7S and molecular weight 490.94 g/mol. IUPAC: methyl 2-[(5E)-5-[[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Property Insights of methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
The XLogP value of 3.2537 indicates that methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)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 99.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate. Following Lipinski's Rule of Five, methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate has 0 hydrogen bond donor(s) and 8 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-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The CAS number of methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 690686-37-4.
What is the molecular formula of methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular formula of methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is C17H15BrClNO7S.
What is the molecular weight of methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular weight of methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 490.94 g/mol.
Where can I buy methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
You can request a quote for methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)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-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {(5E)-5-[3-bromo-5-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.