4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one (CAS 369402-55-1) is a chemical compound with molecular formula C21H14BrN3O3 and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione
Also Known As: 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one, 5-(3-bromophenyl)-3-hydroxy-4-(phenylcarbonyl)-1-pyrimidin-2-yl-3-pyrrolin-2-o ne, 5-(3-bromophenyl)-4-(hydroxy-phenyl-methylidene)-1-pyrimidin-2-yl-pyrrolidine-2,3-dione, (4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione, (E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
| Molecular Formula | C21H14BrN3O3 |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 3.8654 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.02185 |
| Heavy Atoms | 28 |
| Complexity | 1084.3196 |
Chemical Identifiers
| CAS Number | 369402-55-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=CC=N3)C4=CC(=CC=C4)Br)/O |
Product Overview
4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one (CAS 369402-55-1), with molecular formula C21H14BrN3O3 and molecular weight 435.02 g/mol. IUPAC: (4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.8654 indicates that 4-benzoyl-5-(3-bromophenyl)-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 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-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-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is 369402-55-1.
What is the molecular formula of 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is C21H14BrN3O3.
What is the molecular weight of 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one is 435.02 g/mol.
Where can I buy 4-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-benzoyl-5-(3-bromophenyl)-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-benzoyl-5-(3-bromophenyl)-3-hydroxy-1-(pyrimidin-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzoyl-5-(3-bromophenyl)-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.