![ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate structure](/static/products/425/425616-05-3.png)
ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
TL;DR: ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate (CAS 425616-05-3) is a chemical compound with molecular formula C27H22N2O8 and molecular weight 502.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3E)-3-[hydroxy-(4-methoxyphenyl)methylidene]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate, ethyl 4-(3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[(3E)-3-[hydroxy-(4-methoxyphenyl)methylidene]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate, ethyl 4-{3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
| Molecular Formula | C27H22N2O8 |
|---|---|
| Molecular Weight | 502.14 g/mol |
| LogP | 4.4064 |
| Topological Polar Surface Area | 136.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.1376 |
| Heavy Atoms | 37 |
| Complexity | 1411.0785 |
Chemical Identifiers
| CAS Number | 425616-05-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate (CAS 425616-05-3), with molecular formula C27H22N2O8 and molecular weight 502.14 g/mol. IUPAC: ethyl 4-[(3E)-3-[hydroxy-(4-methoxyphenyl)methylidene]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
Property Insights of ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
The XLogP value of 4.4064 indicates that ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate has 1 hydrogen bond donor(s) and 8 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-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
The CAS number of ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate is 425616-05-3.
What is the molecular formula of ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
The molecular formula of ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate is C27H22N2O8.
What is the molecular weight of ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
The molecular weight of ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate is 502.14 g/mol.
Where can I buy ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
You can request a quote for ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-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-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.