![methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate structure](/static/products/6906/690685-85-9.webp)
methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
TL;DR: methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690685-85-9) is a chemical compound with molecular formula C21H18BrNO5S and molecular weight 475.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-(5-bromo-2-((3-methylbenzyl)oxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C21H18BrNO5S |
|---|---|
| Molecular Weight | 475.01 g/mol |
| LogP | 4.54582 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.0089 |
| Heavy Atoms | 29 |
| Complexity | 1004.31604 |
Chemical Identifiers
| CAS Number | 690685-85-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)N(C(=O)S3)CC(=O)OC |
Product Overview
methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690685-85-9), with molecular formula C21H18BrNO5S and molecular weight 475.01 g/mol. IUPAC: methyl 2-[(5E)-5-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Property Insights of methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
The XLogP value of 4.54582 indicates that methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]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 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]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-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The CAS number of methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 690685-85-9.
What is the molecular formula of methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular formula of methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C21H18BrNO5S.
What is the molecular weight of methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular weight of methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 475.01 g/mol.
Where can I buy methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
You can request a quote for methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]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-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.