6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
TL;DR: 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid (CAS 440091-80-5) is a chemical compound with molecular formula C23H21BrN2O7 and molecular weight 516.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid
Also Known As: 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid, 6-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid, 6-[2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid, 6-{(3E)-2-(4-bromophenyl)-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}hexanoic acid
| Molecular Formula | C23H21BrN2O7 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 4.424 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.0532 |
| Heavy Atoms | 33 |
| Complexity | 1110.6348 |
Chemical Identifiers
| CAS Number | 440091-80-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O)/C(=O)C(=O)N2CCCCCC(=O)O)Br |
Product Overview
6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid (CAS 440091-80-5), with molecular formula C23H21BrN2O7 and molecular weight 516.05 g/mol. IUPAC: 6-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid.
Chemical Property Profile of 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
Property Insights of 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
The XLogP value of 4.424 indicates that 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic 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 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid. Following Lipinski's Rule of Five, 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The CAS number of 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is 440091-80-5.
What is the molecular formula of 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The molecular formula of 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is C23H21BrN2O7.
What is the molecular weight of 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The molecular weight of 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is 516.05 g/mol.
Where can I buy 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
You can request a quote for 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-(4-bromophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.