![[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid structure](/static/products/425/425624-64-2.png)
[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid
TL;DR: [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid (CAS 425624-64-2) is a chemical compound with molecular formula C19H14N2O7 and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
Also Known As: [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid|2-[3-(hydroxy-phenyl-methylidene)-2-(3-nitrophenyl)-4,5-dioxo-pyrrolidin-1-yl]acetic Acid|[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid|2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
| Molecular Formula | C19H14N2O7 |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 2.1011 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.0801 |
| Heavy Atoms | 28 |
| Complexity | 1013.952 |
Chemical Identifiers
| CAS Number | 425624-64-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])/O |
Product Overview
[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid (CAS 425624-64-2), with molecular formula C19H14N2O7 and molecular weight 382.08 g/mol. IUPAC: 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid.
Chemical Property Profile of [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid
Property Insights of [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid
The XLogP value of 2.1011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid. Following Lipinski's Rule of Five, [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic 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-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid?
The CAS number of [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid is 425624-64-2.
What is the molecular formula of [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid?
The molecular formula of [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid is C19H14N2O7.
What is the molecular weight of [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid?
The molecular weight of [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid is 382.08 g/mol.
Where can I buy [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid?
You can request a quote for [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.