![[(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid structure](/static/products/844/844648-78-8.png)
[(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
TL;DR: [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid (CAS 844648-78-8) is a chemical compound with molecular formula C21H18N2O8 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
Also Known As: [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid|2-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
| Molecular Formula | C21H18N2O8 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 2.4998 |
| Topological Polar Surface Area | 147.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.10632 |
| Heavy Atoms | 31 |
| Complexity | 1073.5635 |
Chemical Identifiers
| CAS Number | 844648-78-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])/O |
Product Overview
[(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid (CAS 844648-78-8), with molecular formula C21H18N2O8 and molecular weight 426.11 g/mol. IUPAC: 2-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid.
Chemical Property Profile of [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
Property Insights of [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
The XLogP value of 2.4998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid. The TPSA of 147.28 Ų indicates high polarity, suggesting [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid has 2 hydrogen bond donor(s) and 7 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 [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid?
The CAS number of [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid is 844648-78-8.
What is the molecular formula of [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid?
The molecular formula of [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid is C21H18N2O8.
What is the molecular weight of [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid?
The molecular weight of [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid is 426.11 g/mol.
Where can I buy [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid?
You can request a quote for [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.