4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one (CAS 296882-22-9) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 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-phenyl-2H-pyrrol-5-one
Also Known As: BAS 02378545, 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one, 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-phenyl-2H-pyrrol-5-one, 4-Acetyl-3-hydroxy-1-hydroxymethyl-5-phenyl-1,5-dihydro-pyrrol-2-one, A2048/0086153
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 0.9208 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 521.0526 |
Chemical Identifiers
| CAS Number | 296882-22-9 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CO)O |
Product Overview
4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one (CAS 296882-22-9), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-phenyl-2H-pyrrol-5-one.
Chemical Property Profile of 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 0.9208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-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 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one is 296882-22-9.
What is the molecular formula of 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one is C13H13NO4.
What is the molecular weight of 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one is 247.08 g/mol.
Where can I buy 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.