![3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid structure](/static/products/425/425617-66-9.png)
3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
TL;DR: 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid (CAS 425617-66-9) is a chemical compound with molecular formula C24H16ClNO5 and molecular weight 433.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, 3-[(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid, 3-[2-(4-chlorophenyl)-3-(hydroxy-phenyl-methylidene)-4,5-dioxo-pyrrolidin-1-yl]benzoic Acid, 3-{(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoic acid
| Molecular Formula | C24H16ClNO5 |
|---|---|
| Molecular Weight | 433.07 g/mol |
| LogP | 4.6645 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0717 |
| Heavy Atoms | 31 |
| Complexity | 1218.2318 |
Chemical Identifiers
| CAS Number | 425617-66-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Cl)/O |
Product Overview
3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid (CAS 425617-66-9), with molecular formula C24H16ClNO5 and molecular weight 433.07 g/mol. IUPAC: 3-[(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
Property Insights of 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
The XLogP value of 4.6645 indicates that 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic 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 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic 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 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
The CAS number of 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid is 425617-66-9.
What is the molecular formula of 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
The molecular formula of 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid is C24H16ClNO5.
What is the molecular weight of 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
The molecular weight of 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid is 433.07 g/mol.
Where can I buy 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
You can request a quote for 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.