4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
TL;DR: 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid (CAS 371211-22-2) is a chemical compound with molecular formula C22H20N2O8 and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3E)-3-[hydroxy-(4-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid, 4-[(3E)-3-[hydroxy(4-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid, 4-[(3E)-3-[hydroxy-(4-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
| Molecular Formula | C22H20N2O8 |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 2.8899 |
| Topological Polar Surface Area | 147.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.12198 |
| Heavy Atoms | 32 |
| Complexity | 1089.9188 |
Chemical Identifiers
| CAS Number | 371211-22-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O)/C(=O)C(=O)N2CCCC(=O)O |
Product Overview
4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid (CAS 371211-22-2), with molecular formula C22H20N2O8 and molecular weight 440.12 g/mol. IUPAC: 4-[(3E)-3-[hydroxy-(4-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
Property Insights of 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
The XLogP value of 2.8899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid. The TPSA of 147.28 Ų indicates high polarity, suggesting 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid has 2 hydrogen bond donor(s) and 7 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-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The CAS number of 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is 371211-22-2.
What is the molecular formula of 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The molecular formula of 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is C22H20N2O8.
What is the molecular weight of 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
The molecular weight of 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid is 440.12 g/mol.
Where can I buy 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
You can request a quote for 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-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-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-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.