![ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate structure](/static/products/488/488108-75-4.png)
ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
TL;DR: ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate (CAS 488108-75-4) is a chemical compound with molecular formula C26H19ClN2O7 and molecular weight 506.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate, ethyl 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C26H19ClN2O7 |
|---|---|
| Molecular Weight | 506.09 g/mol |
| LogP | 5.0512 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.08807 |
| Heavy Atoms | 36 |
| Complexity | 1398.5499 |
Chemical Identifiers
| CAS Number | 488108-75-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate (CAS 488108-75-4), with molecular formula C26H19ClN2O7 and molecular weight 506.09 g/mol. IUPAC: ethyl 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
Property Insights of ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
The XLogP value of 5.0512 indicates that ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate?
The CAS number of ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate is 488108-75-4.
What is the molecular formula of ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate?
The molecular formula of ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate is C26H19ClN2O7.
What is the molecular weight of ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate?
The molecular weight of ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate is 506.09 g/mol.
Where can I buy ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate?
You can request a quote for ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.