3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
TL;DR: 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CAS 488794-68-9) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
Also Known As: 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one, 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one, 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 2.0442 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 601.20795 |
Chemical Identifiers
| CAS Number | 488794-68-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CO)O)C(=O)C |
Product Overview
3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CAS 488794-68-9), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
Property Insights of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
The XLogP value of 2.0442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one. Following Lipinski's Rule of Five, 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-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-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The CAS number of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is 488794-68-9.
What is the molecular formula of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The molecular formula of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is C16H19NO4.
What is the molecular weight of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The molecular weight of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is 289.13 g/mol.
Where can I buy 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
You can request a quote for 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-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-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.