3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one
TL;DR: 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one (CAS 425613-84-9) is a chemical compound with molecular formula C16H18BrNO3 and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one
Also Known As: 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one, 4-acetyl-5-(4-bromophenyl)-1-butyl-3-hydroxy-1H-pyrrol-2(5H)-one, 4-acetyl-5-(4-bromophenyl)-1-butyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C16H18BrNO3 |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 3.5336 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.047 |
| Heavy Atoms | 21 |
| Complexity | 592.04456 |
Chemical Identifiers
| CAS Number | 425613-84-9 |
|---|---|
| SMILES | CCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)Br |
Product Overview
3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one (CAS 425613-84-9), with molecular formula C16H18BrNO3 and molecular weight 351.05 g/mol. IUPAC: 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one
Property Insights of 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one
The XLogP value of 3.5336 indicates that 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one has 1 hydrogen bond donor(s) and 3 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-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one?
The CAS number of 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one is 425613-84-9.
What is the molecular formula of 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one?
The molecular formula of 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one is C16H18BrNO3.
What is the molecular weight of 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one?
The molecular weight of 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one is 351.05 g/mol.
Where can I buy 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one?
You can request a quote for 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-2-(4-bromophenyl)-1-butyl-4-hydroxy-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.