4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 615271-52-8) is a chemical compound with molecular formula C24H27FN2O5 and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)pyrrolidine-2,3-dione, 4-[(3,4-dimethoxyphenyl)carbonyl]-1-[3-(dimethylamino)propyl]-5-(2-fluoropheny l)-3-hydroxy-3-pyrrolin-2-one
| Molecular Formula | C24H27FN2O5 |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 3.2163 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.1904 |
| Heavy Atoms | 32 |
| Complexity | 1050.4352 |
Chemical Identifiers
| CAS Number | 615271-52-8 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC(=C(C=C2)OC)OC)\O)/C(=O)C1=O)C3=CC=CC=C3F |
Product Overview
4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 615271-52-8), with molecular formula C24H27FN2O5 and molecular weight 442.19 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 3.2163 indicates that 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 6 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-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 615271-52-8.
What is the molecular formula of 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C24H27FN2O5.
What is the molecular weight of 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 442.19 g/mol.
Where can I buy 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-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 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dimethoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.