4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one (CAS 618875-97-1) is a chemical compound with molecular formula C21H15BrN2O4 and molecular weight 438.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrrolidine-2,3-dione
Also Known As: 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrrolidine-2,3-dione, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrrolidine-2,3-dione
| Molecular Formula | C21H15BrN2O4 |
|---|---|
| Molecular Weight | 438.02 g/mol |
| LogP | 4.37182 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.0215 |
| Heavy Atoms | 28 |
| Complexity | 1087.108 |
Chemical Identifiers
| CAS Number | 618875-97-1 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C2=O)C4=CC=CC=C4 |
Product Overview
4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one (CAS 618875-97-1), with molecular formula C21H15BrN2O4 and molecular weight 438.02 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one
The XLogP value of 4.37182 indicates that 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one 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 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one is 618875-97-1.
What is the molecular formula of 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one is C21H15BrN2O4.
What is the molecular weight of 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one is 438.02 g/mol.
Where can I buy 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-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-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.