4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one (CAS 371209-08-4) is a chemical compound with molecular formula C21H13FN4O5 and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione
Also Known As: 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione, (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione, 4-[(4-fluorophenyl)-hydroxy-methylidene]-5-(3-nitrophenyl)-1-pyrimidin-2-yl-pyrrolidine-2,3-dione, 4-[(4-fluorophenyl)carbonyl]-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C21H13FN4O5 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 3.1502 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.087 |
| Heavy Atoms | 31 |
| Complexity | 1228.0322 |
Chemical Identifiers
| CAS Number | 371209-08-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2C4=NC=CC=N4 |
Product Overview
4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one (CAS 371209-08-4), with molecular formula C21H13FN4O5 and molecular weight 420.09 g/mol. IUPAC: (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-pyrimidin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.1502 indicates that 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-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 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one has 1 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 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is 371209-08-4.
What is the molecular formula of 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is C21H13FN4O5.
What is the molecular weight of 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is 420.09 g/mol.
Where can I buy 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-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-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.