![methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate structure](/static/products/690/690696-88-9.png)
methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
TL;DR: methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690696-88-9) is a chemical compound with molecular formula C18H13N3O7S and molecular weight 415.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, Methyl 2-[5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C18H13N3O7S |
|---|---|
| Molecular Weight | 415.05 g/mol |
| LogP | 2.9914 |
| Topological Polar Surface Area | 128.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.04742 |
| Heavy Atoms | 29 |
| Complexity | 1003.11975 |
Chemical Identifiers
| CAS Number | 690696-88-9 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])/SC1=O |
Product Overview
methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 690696-88-9), with molecular formula C18H13N3O7S and molecular weight 415.05 g/mol. IUPAC: methyl 2-[(5E)-5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Property Insights of methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
The XLogP value of 2.9914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. The TPSA of 128.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate 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 [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The CAS number of methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 690696-88-9.
What is the molecular formula of methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular formula of methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C18H13N3O7S.
What is the molecular weight of methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular weight of methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 415.05 g/mol.
Where can I buy methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
You can request a quote for methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)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-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(5E)-5-{4-[(5-nitropyridin-2-yl)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.