1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one (CAS 577985-56-9) is a chemical compound with molecular formula C26H20FNO5 and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
Also Known As: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one, 1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C26H20FNO5 |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 4.2188 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.13254 |
| Heavy Atoms | 33 |
| Complexity | 1253.4337 |
Chemical Identifiers
| CAS Number | 577985-56-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=CC=C4)C5=CC=C(C=C5)F)O |
Product Overview
1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one (CAS 577985-56-9), with molecular formula C26H20FNO5 and molecular weight 445.13 g/mol. IUPAC: 1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.2188 indicates that 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-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 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is 577985-56-9.
What is the molecular formula of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is C26H20FNO5.
What is the molecular weight of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one is 445.13 g/mol.
Where can I buy 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-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 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-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.