![4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/623/623132-22-9.png)
4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one (CAS 623132-22-9) is a chemical compound with molecular formula C22H21FN2O5 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-(2-dimethylaminoethyl)-5-(4-fluorophenyl)pyrrolidine-2,3-dione, 4-(1,3-benzodioxol-5-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-f luorophenyl)-3-hydroxy-3-pyrrolin-2-one
| Molecular Formula | C22H21FN2O5 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 2.5377 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.14346 |
| Heavy Atoms | 30 |
| Complexity | 1032.3235 |
Chemical Identifiers
| CAS Number | 623132-22-9 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC3=C(C=C2)OCO3)\O)/C(=O)C1=O)C4=CC=C(C=C4)F |
Product Overview
4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one (CAS 623132-22-9), with molecular formula C22H21FN2O5 and molecular weight 412.14 g/mol. IUPAC: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 2.5377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-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-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is 623132-22-9.
What is the molecular formula of 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is C22H21FN2O5.
What is the molecular weight of 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is 412.14 g/mol.
Where can I buy 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.