3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
TL;DR: 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (CAS 488087-00-9) is a chemical compound with molecular formula C26H21NO7 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid, 3-[2-(2,4-dimethoxyphenyl)-3-(hydroxy-phenyl-methylidene)-4,5-dioxo-pyrrolidin-1-yl]benzoic Acid, 3-{(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoic acid
| Molecular Formula | C26H21NO7 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.0283 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1318 |
| Heavy Atoms | 34 |
| Complexity | 1313.7343 |
Chemical Identifiers
| CAS Number | 488087-00-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2C4=CC=CC(=C4)C(=O)O)OC |
Product Overview
3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid (CAS 488087-00-9), with molecular formula C26H21NO7 and molecular weight 459.13 g/mol. IUPAC: 3-[(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
Property Insights of 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 4.0283 indicates that 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-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 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic 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 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is 488087-00-9.
What is the molecular formula of 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is C26H21NO7.
What is the molecular weight of 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid is 459.13 g/mol.
Where can I buy 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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.