![methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate structure](/static/products/679/679821-71-7.png)
methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
TL;DR: methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate (CAS 679821-71-7) is a chemical compound with molecular formula C17H18BrNO5S and molecular weight 427.01 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-propan-2-yloxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Also Known As: methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate, (E)-methyl 2-(5-(3-bromo-4-isopropoxybenzylidene)-2,4-dioxothiazolidin-3-yl)propanoate, methyl 2-[(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C17H18BrNO5S |
|---|---|
| Molecular Weight | 427.01 g/mol |
| LogP | 3.8341 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.0089 |
| Heavy Atoms | 25 |
| Complexity | 746.5538 |
Chemical Identifiers
| CAS Number | 679821-71-7 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)C(C)C(=O)OC)Br |
Product Overview
methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate (CAS 679821-71-7), with molecular formula C17H18BrNO5S and molecular weight 427.01 g/mol. IUPAC: methyl 2-[(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
Property Insights of methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
The XLogP value of 3.8341 indicates that methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)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 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate. Following Lipinski's Rule of Five, methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)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-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The CAS number of methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is 679821-71-7.
What is the molecular formula of methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The molecular formula of methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is C17H18BrNO5S.
What is the molecular weight of methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The molecular weight of methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is 427.01 g/mol.
Where can I buy methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
You can request a quote for methyl 2-{(5E)-5-[3-bromo-4-(propan-2-yloxy)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-(propan-2-yloxy)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-(propan-2-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.