4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 840516-95-2) is a chemical compound with molecular formula C27H19FN2O5 and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C27H19FN2O5 |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 5.54072 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.1278 |
| Heavy Atoms | 35 |
| Complexity | 1443.9502 |
Chemical Identifiers
| CAS Number | 840516-95-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(C(=C(C3=CC=C(C=C3)F)O)C(=O)C2=O)C4=CC(=CC=C4)OC5=CC=CC=C5 |
Product Overview
4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 840516-95-2), with molecular formula C27H19FN2O5 and molecular weight 470.13 g/mol. IUPAC: 4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 5.54072 indicates that 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 840516-95-2.
What is the molecular formula of 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is C27H19FN2O5.
What is the molecular weight of 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 470.13 g/mol.
Where can I buy 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-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-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.