![3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid structure](/static/products/425/425415-32-3.png)
3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
TL;DR: 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid (CAS 425415-32-3) is a chemical compound with molecular formula C25H19NO5 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid
Also Known As: 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, 3-[4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-phenyl-pyrrolidin-1-yl]benzoic Acid, 3-[(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid, 3-{(3E)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}benzoic acid, 3-{3-hydroxy-4-[(4-methylphenyl)carbonyl]-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
| Molecular Formula | C25H19NO5 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 4.31952 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1263 |
| Heavy Atoms | 31 |
| Complexity | 1212.1744 |
Chemical Identifiers
| CAS Number | 425415-32-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)/O |
Product Overview
3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid (CAS 425415-32-3), with molecular formula C25H19NO5 and molecular weight 413.13 g/mol. IUPAC: 3-[(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
Property Insights of 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
The XLogP value of 4.31952 indicates that 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-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-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-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-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
The CAS number of 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid is 425415-32-3.
What is the molecular formula of 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
The molecular formula of 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid is C25H19NO5.
What is the molecular weight of 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
The molecular weight of 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid is 413.13 g/mol.
Where can I buy 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
You can request a quote for 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-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-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-hydroxy-4-(4-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.