![methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate structure](/static/products/108/1084610-68-3.png)
methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
TL;DR: methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CAS 1084610-68-3) is a chemical compound with molecular formula C14H11BrClNO5S and molecular weight 418.92 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-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Also Known As: methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate, (E)-methyl 2-(5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxothiazolidin-3-yl)propanoate, methyl 2-[(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C14H11BrClNO5S |
|---|---|
| Molecular Weight | 418.92 g/mol |
| LogP | 3.4059 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.92297 |
| Heavy Atoms | 23 |
| Complexity | 712.873 |
Chemical Identifiers
| CAS Number | 1084610-68-3 |
|---|---|
| SMILES | CC(C(=O)OC)N1C(=O)/C(=C\C2=CC(=C(C(=C2)Br)O)Cl)/SC1=O |
Product Overview
methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CAS 1084610-68-3), with molecular formula C14H11BrClNO5S and molecular weight 418.92 g/mol. IUPAC: methyl 2-[(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Property Insights of methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
The XLogP value of 3.4059 indicates that methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-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 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate. Following Lipinski's Rule of Five, methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate has 1 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-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The CAS number of methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is 1084610-68-3.
What is the molecular formula of methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular formula of methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is C14H11BrClNO5S.
What is the molecular weight of methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular weight of methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is 418.92 g/mol.
Where can I buy methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
You can request a quote for methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-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-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(5E)-5-(3-bromo-5-chloro-4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.