![4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid structure](/static/products/425/425398-11-4.png)
4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
TL;DR: 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid (CAS 425398-11-4) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid, 4-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid, 4-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid, 4-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.18972 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 1072.0432 |
Chemical Identifiers
| CAS Number | 425398-11-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])/O |
Product Overview
4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid (CAS 425398-11-4), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: 4-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Property Insights of 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
The XLogP value of 3.18972 indicates that 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-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 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid. Following Lipinski's Rule of Five, 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic 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 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
The CAS number of 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid is 425398-11-4.
What is the molecular formula of 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
The molecular formula of 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid is C22H20N2O7.
What is the molecular weight of 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
The molecular weight of 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid is 424.13 g/mol.
Where can I buy 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
You can request a quote for 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-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-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.