![methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate structure](/static/products/6906/690686-26-1.webp)
methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
TL;DR: methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 690686-26-1) is a chemical compound with molecular formula C15H15BrN2O4S and molecular weight 397.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, (E)-methyl 2-(5-(3-bromo-4-(dimethylamino)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C15H15BrN2O4S |
|---|---|
| Molecular Weight | 397.99 g/mol |
| LogP | 2.7244 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.9936 |
| Heavy Atoms | 23 |
| Complexity | 702.71735 |
Chemical Identifiers
| CAS Number | 690686-26-1 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC)Br |
Product Overview
methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 690686-26-1), with molecular formula C15H15BrN2O4S and molecular weight 397.99 g/mol. IUPAC: methyl 2-[(5E)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Property Insights of methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
The XLogP value of 2.7244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-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)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate. Following Lipinski's Rule of Five, methyl {(5E)-5-[3-bromo-4-(dimethylamino)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-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The CAS number of methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 690686-26-1.
What is the molecular formula of methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular formula of methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is C15H15BrN2O4S.
What is the molecular weight of methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular weight of methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 397.99 g/mol.
Where can I buy methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
You can request a quote for methyl {(5E)-5-[3-bromo-4-(dimethylamino)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-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.