3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one
TL;DR: 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one (CAS 440096-66-2) is a chemical compound with molecular formula C13H12BrNO4 and molecular weight 324.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one
Also Known As: 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one, (4Z)-5-(4-bromophenyl)-4-(1-hydroxyethylidene)-1-(hydroxymethyl)pyrrolidine-2,3-dione, 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-(hydroxymethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C13H12BrNO4 |
|---|---|
| Molecular Weight | 324.99 g/mol |
| LogP | 1.6833 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.99496 |
| Heavy Atoms | 19 |
| Complexity | 564.51086 |
Chemical Identifiers
| CAS Number | 440096-66-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)CO)O |
Product Overview
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one (CAS 440096-66-2), with molecular formula C13H12BrNO4 and molecular weight 324.99 g/mol. IUPAC: 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one.
Chemical Property Profile of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one
Property Insights of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one
The XLogP value of 1.6833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one. Following Lipinski's Rule of Five, 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one 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 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one?
The CAS number of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one is 440096-66-2.
What is the molecular formula of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one?
The molecular formula of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one is C13H12BrNO4.
What is the molecular weight of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one?
The molecular weight of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one is 324.99 g/mol.
Where can I buy 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one?
You can request a quote for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-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)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.