4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
TL;DR: 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid (CAS 425624-22-2) is a chemical compound with molecular formula C21H17FN2O7 and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid, 4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid, 4-[2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid, 4-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid, 4-{2-(2-fluorophenyl)-4-hydroxy-3-[(4-nitrophenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}butanoic acid
| Molecular Formula | C21H17FN2O7 |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 3.0204 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.102 |
| Heavy Atoms | 31 |
| Complexity | 1095.162 |
Chemical Identifiers
| CAS Number | 425624-22-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2/C(=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O)/C(=O)C(=O)N2CCCC(=O)O)F |
Product Overview
4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid (CAS 425624-22-2), with molecular formula C21H17FN2O7 and molecular weight 428.10 g/mol. IUPAC: 4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
Property Insights of 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
The XLogP value of 3.0204 indicates that 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid has 2 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-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The CAS number of 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is 425624-22-2.
What is the molecular formula of 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The molecular formula of 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is C21H17FN2O7.
What is the molecular weight of 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The molecular weight of 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is 428.10 g/mol.
Where can I buy 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
You can request a quote for 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.