(E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate
TL;DR: (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate (CAS 690694-59-8) is a chemical compound with molecular formula C14H12N2O8S and molecular weight 368.03 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-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl [(5E)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, methyl 2-[(5E)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C14H12N2O8S |
|---|---|
| Molecular Weight | 368.03 g/mol |
| LogP | 1.5183 |
| Topological Polar Surface Area | 136.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.03143 |
| Heavy Atoms | 25 |
| Complexity | 804.26666 |
Chemical Identifiers
| CAS Number | 690694-59-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC |
Product Overview
(E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate (CAS 690694-59-8), with molecular formula C14H12N2O8S and molecular weight 368.03 g/mol. IUPAC: methyl 2-[(5E)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate
Property Insights of (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate
The XLogP value of 1.5183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate. The TPSA of 136.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate has 1 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 (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate?
The CAS number of (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate is 690694-59-8.
What is the molecular formula of (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate?
The molecular formula of (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate is C14H12N2O8S.
What is the molecular weight of (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate?
The molecular weight of (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate is 368.03 g/mol.
Where can I buy (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate?
You can request a quote for (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-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 (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2,4-dioxothiazolidin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.