1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one
TL;DR: 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one (CAS 462069-75-6) is a chemical compound with molecular formula C21H21FN2O3 and molecular weight 368.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
Also Known As: 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one, AS-871/41340953, 1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-2,5-dihydro-1H-pyrrol-2-one, (4E)-1-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione, (4E)-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
| Molecular Formula | C21H21FN2O3 |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 2.809 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.15363 |
| Heavy Atoms | 27 |
| Complexity | 876.0596 |
Chemical Identifiers
| CAS Number | 462069-75-6 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)F)\O)/C(=O)C1=O)C3=CC=CC=C3 |
Product Overview
1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one (CAS 462069-75-6), with molecular formula C21H21FN2O3 and molecular weight 368.15 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one
Property Insights of 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one
The XLogP value of 2.809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 4 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 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
The CAS number of 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is 462069-75-6.
What is the molecular formula of 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is C21H21FN2O3.
What is the molecular weight of 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is 368.15 g/mol.
Where can I buy 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-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 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.