4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
TL;DR: 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid (CAS 425610-73-7) is a chemical compound with molecular formula C21H18ClNO5 and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]butanoic acid
Also Known As: 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid, 4-[3-(4-Chloro-benzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl]-butyric acid, 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid, 4-[(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]butanoic acid, 4-{(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}butanoic acid
| Molecular Formula | C21H18ClNO5 |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.6265 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.08734 |
| Heavy Atoms | 28 |
| Complexity | 937.02814 |
Chemical Identifiers
| CAS Number | 425610-73-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCCC(=O)O |
Product Overview
4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid (CAS 425610-73-7), with molecular formula C21H18ClNO5 and molecular weight 399.09 g/mol. IUPAC: 4-[(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
Property Insights of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
The XLogP value of 3.6265 indicates that 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-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)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-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)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The CAS number of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is 425610-73-7.
What is the molecular formula of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The molecular formula of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is C21H18ClNO5.
What is the molecular weight of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The molecular weight of 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is 399.09 g/mol.
Where can I buy 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
You can request a quote for 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-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)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.