![methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate structure](/static/products/692/692272-23-4.png)
methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
TL;DR: methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate (CAS 692272-23-4) is a chemical compound with molecular formula C16H17BrN2O4S and molecular weight 412.01 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]propanoate
Also Known As: methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate, (E)-methyl 2-(5-(3-bromo-4-(dimethylamino)benzylidene)-2,4-dioxothiazolidin-3-yl)propanoate, methyl 2-[(5E)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C16H17BrN2O4S |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 3.1129 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.00925 |
| Heavy Atoms | 24 |
| Complexity | 732.78766 |
Chemical Identifiers
| CAS Number | 692272-23-4 |
|---|---|
| SMILES | CC(C(=O)OC)N1C(=O)/C(=C\C2=CC(=C(C=C2)N(C)C)Br)/SC1=O |
Product Overview
methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate (CAS 692272-23-4), with molecular formula C16H17BrN2O4S and molecular weight 412.01 g/mol. IUPAC: methyl 2-[(5E)-5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
Property Insights of methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
The XLogP value of 3.1129 indicates that methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate. Following Lipinski's Rule of Five, methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate 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 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The CAS number of methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is 692272-23-4.
What is the molecular formula of methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The molecular formula of methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is C16H17BrN2O4S.
What is the molecular weight of methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The molecular weight of methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is 412.01 g/mol.
Where can I buy methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
You can request a quote for methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{(5E)-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.