ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
TL;DR: ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 425612-22-2) is a chemical compound with molecular formula C26H20FNO5 and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate, ethyl 4-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate, Ethyl 4-[2-(4-fluorophenyl)-3-(hydroxy-phenyl-methylidene)-4,5-dioxo-pyrrolidin-1-yl]benzoate
| Molecular Formula | C26H20FNO5 |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 4.6287 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.13254 |
| Heavy Atoms | 33 |
| Complexity | 1233.9386 |
Chemical Identifiers
| CAS Number | 425612-22-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=CC=C3)\O)/C(=O)C2=O)C4=CC=C(C=C4)F |
Product Overview
ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 425612-22-2), with molecular formula C26H20FNO5 and molecular weight 445.13 g/mol. IUPAC: ethyl 4-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Property Insights of ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
The XLogP value of 4.6287 indicates that ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-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 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate has 1 hydrogen bond donor(s) and 5 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 ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The CAS number of ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 425612-22-2.
What is the molecular formula of ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular formula of ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is C26H20FNO5.
What is the molecular weight of ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular weight of ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 445.13 g/mol.
Where can I buy ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
You can request a quote for ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-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-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-benzoyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.