6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
TL;DR: 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid (CAS 332394-50-0) is a chemical compound with molecular formula C23H22BrNO5 and molecular weight 471.07 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(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid
Also Known As: 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid, 6-[(3E)-2-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid, 6-[2-(4-bromophenyl)-3-(hydroxy-phenyl-methylidene)-4,5-dioxo-pyrrolidin-1-yl]hexanoic Acid, 6-{(3E)-2-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}hexanoic acid
| Molecular Formula | C23H22BrNO5 |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 4.5158 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.06815 |
| Heavy Atoms | 30 |
| Complexity | 968.8478 |
Chemical Identifiers
| CAS Number | 332394-50-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCCCC(=O)O)C3=CC=C(C=C3)Br)/O |
Product Overview
6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid (CAS 332394-50-0), with molecular formula C23H22BrNO5 and molecular weight 471.07 g/mol. IUPAC: 6-[(3E)-2-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid.
Chemical Property Profile of 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
Property Insights of 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
The XLogP value of 4.5158 indicates that 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-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 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid. Following Lipinski's Rule of Five, 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid has 2 hydrogen bond donor(s) and 4 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 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The CAS number of 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is 332394-50-0.
What is the molecular formula of 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The molecular formula of 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is C23H22BrNO5.
What is the molecular weight of 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The molecular weight of 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is 471.07 g/mol.
Where can I buy 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
You can request a quote for 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-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-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-benzoyl-2-(4-bromophenyl)-4-hydroxy-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.