5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 462069-90-5) is a chemical compound with molecular formula C25H30FN3O3 and molecular weight 439.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-[4-(diethylamino)phenyl]-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Also Known As: 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-5-[4-(diethylamino)phenyl]-1-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione, 5-[4-(DIETHYLAMINO)PHENYL]-1-[2-(DIMETHYLAMINO)ETHYL]-4-(4-FLUOROBENZOYL)-3-HYDROXY-2,5-DIHYDRO-1H-PYRROL-2-ONE, 5-[4-(diethylamino)phenyl]-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C25H30FN3O3 |
|---|---|
| Molecular Weight | 439.23 g/mol |
| LogP | 3.6552 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.2271 |
| Heavy Atoms | 32 |
| Complexity | 996.0971 |
Chemical Identifiers
| CAS Number | 462069-90-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2CCN(C)C |
Product Overview
5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 462069-90-5), with molecular formula C25H30FN3O3 and molecular weight 439.23 g/mol. IUPAC: (4E)-5-[4-(diethylamino)phenyl]-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 3.6552 indicates that 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-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 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 462069-90-5.
What is the molecular formula of 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C25H30FN3O3.
What is the molecular weight of 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 439.23 g/mol.
Where can I buy 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-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 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(diethylamino)phenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.