4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one (CAS 165056-11-1) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyl-4-hydroxy-1-methyl-2-phenyl-2H-pyrrol-5-one
Also Known As: BAS 00732796, J1.064.431C, AB00096917-01, 3-acetyl-4-hydroxy-1-methyl-2-phenyl-2H-pyrrol-5-one, 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Technical Specifications
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C)O |
| InChIKey | RKOZYHBRZUQYQF-UHFFFAOYSA-N |
Chemical Property Profile of 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one. With a topological polar surface area (TPSA) of 57.6 Ų, 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-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
What is the CAS number of 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one is 165056-11-1.
What is the molecular formula of 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one is C13H13NO3.
What is the molecular weight of 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one is 231.08954 g/mol.
Where can I buy 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one?
Yes, CoreyChem provides custom synthesis services for 4-acetyl-3-hydroxy-1-methyl-5-phenyl-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.