![4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid structure](/static/products/496/496772-85-1.png)
4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
TL;DR: 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid (CAS 496772-85-1) is a chemical compound with molecular formula C21H17ClFNO5 and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid, 4-(3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid, 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid, 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
| Molecular Formula | C21H17ClFNO5 |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 3.7656 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.07794 |
| Heavy Atoms | 29 |
| Complexity | 1002.386 |
Chemical Identifiers
| CAS Number | 496772-85-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCCC(=O)O)F |
Product Overview
4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid (CAS 496772-85-1), with molecular formula C21H17ClFNO5 and molecular weight 417.08 g/mol. IUPAC: 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Property Insights of 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
The XLogP value of 3.7656 indicates that 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-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 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid. Following Lipinski's Rule of Five, 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid has 2 hydrogen bond donor(s) and 4 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-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
The CAS number of 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid is 496772-85-1.
What is the molecular formula of 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
The molecular formula of 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid is C21H17ClFNO5.
What is the molecular weight of 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
The molecular weight of 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid is 417.08 g/mol.
Where can I buy 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
You can request a quote for 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-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-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-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.