![methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate structure](/static/products/108/1084609-59-5.png)
methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
TL;DR: methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CAS 1084609-59-5) is a chemical compound with molecular formula C14H12N2O7S and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Also Known As: methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate, (E)-methyl 2-(5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)propanoate, methyl 2-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate, Methyl 2-[5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C14H12N2O7S |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 1.8982 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.03653 |
| Heavy Atoms | 24 |
| Complexity | 774.3865 |
Chemical Identifiers
| CAS Number | 1084609-59-5 |
|---|---|
| SMILES | CC(C(=O)OC)N1C(=O)/C(=C\C2=CC(=C(C=C2)O)[N+](=O)[O-])/SC1=O |
Product Overview
methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CAS 1084609-59-5), with molecular formula C14H12N2O7S and molecular weight 352.04 g/mol. IUPAC: methyl 2-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Property Insights of methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
The XLogP value of 1.8982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate. Following Lipinski's Rule of Five, methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate has 1 hydrogen bond donor(s) and 8 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-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The CAS number of methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is 1084609-59-5.
What is the molecular formula of methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular formula of methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is C14H12N2O7S.
What is the molecular weight of methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular weight of methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is 352.04 g/mol.
Where can I buy methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
You can request a quote for methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-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-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.