![Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate structure](/static/products/6922/692267-56-4.webp)
Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
TL;DR: Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CAS 692267-56-4) is a chemical compound with molecular formula C21H18N2O7S and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Also Known As: Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate, methyl 2-[5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate, Methyl alpha-methyl-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylene]-2,4-dioxo-3-thiazolidineacetate, Methyl I+/--methyl-5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylene]-2,4-dioxo-3-thiazolidineacetate
| Molecular Formula | C21H18N2O7S |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 3.7716 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.08347 |
| Heavy Atoms | 31 |
| Complexity | 1065.6528 |
Chemical Identifiers
| CAS Number | 692267-56-4 |
|---|---|
| SMILES | CC(C(=O)OC)N1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])SC1=O |
Product Overview
Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CAS 692267-56-4), with molecular formula C21H18N2O7S and molecular weight 442.08 g/mol. IUPAC: methyl 2-[5-[[4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Property Insights of Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
The XLogP value of 3.7716 indicates that Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate. Following Lipinski's Rule of Five, Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate has 0 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-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The CAS number of Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is 692267-56-4.
What is the molecular formula of Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular formula of Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is C21H18N2O7S.
What is the molecular weight of Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular weight of Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is 442.08 g/mol.
Where can I buy Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
You can request a quote for Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-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-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[5-({4-[(3-nitrophenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.