4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one (CAS 369402-86-8) is a chemical compound with molecular formula C23H18FN3O4 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione
Also Known As: 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(4-fluorophenyl)-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione, (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione, 4-[(4-ethoxyphenyl)carbonyl]-5-(4-fluorophenyl)-3-hydroxy-1-pyrimidin-2-yl-3-p yrrolin-2-one
| Molecular Formula | C23H18FN3O4 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 3.6407 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.12814 |
| Heavy Atoms | 31 |
| Complexity | 1145.7039 |
Chemical Identifiers
| CAS Number | 369402-86-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC=C(C=C4)F)/O |
Product Overview
4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one (CAS 369402-86-8), with molecular formula C23H18FN3O4 and molecular weight 419.13 g/mol. IUPAC: (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.6407 indicates that 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 6 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 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is 369402-86-8.
What is the molecular formula of 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is C23H18FN3O4.
What is the molecular weight of 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is 419.13 g/mol.
Where can I buy 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.