![methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate structure](/static/products/108/1084609-70-0.png)
methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
TL;DR: methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate (CAS 1084609-70-0) is a chemical compound with molecular formula C18H18BrNO8S and molecular weight 486.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Also Known As: methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate, (E)-methyl 2-(5-(2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene)-2,4-dioxothiazolidin-3-yl)propanoate, methyl 2-[(5E)-5-[[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C18H18BrNO8S |
|---|---|
| Molecular Weight | 486.99 g/mol |
| LogP | 2.6073 |
| Topological Polar Surface Area | 108.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.99365 |
| Heavy Atoms | 29 |
| Complexity | 884.85724 |
Chemical Identifiers
| CAS Number | 1084609-70-0 |
|---|---|
| SMILES | CC(C(=O)OC)N1C(=O)/C(=C\C2=CC(=C(C=C2Br)OCC(=O)OC)OC)/SC1=O |
Product Overview
methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate (CAS 1084609-70-0), with molecular formula C18H18BrNO8S and molecular weight 486.99 g/mol. IUPAC: methyl 2-[(5E)-5-[[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
Property Insights of methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
The XLogP value of 2.6073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate. The TPSA of 108.44 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate. Following Lipinski's Rule of Five, methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate has 0 hydrogen bond donor(s) and 9 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-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The CAS number of methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is 1084609-70-0.
What is the molecular formula of methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The molecular formula of methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is C18H18BrNO8S.
What is the molecular weight of methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The molecular weight of methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is 486.99 g/mol.
Where can I buy methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
You can request a quote for methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)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-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{(5E)-5-[2-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.