3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
TL;DR: 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (CAS 165056-12-2) is a chemical compound with molecular formula C13H12BrNO3 and molecular weight 309.00006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
Also Known As: BAS 00732797, 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one, 4-Acetyl-5-(4-bromo-phenyl)-3-hydroxy-1-methyl-1,5-dihydro-pyrrol-2-one, 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-methyl-1H-pyrrol-2(5H)-one, 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one
Technical Specifications
| Molecular Formula | C13H12BrNO3 |
| Molecular Weight | 309.00006 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.00006 Da |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)C)O |
| InChIKey | RJIAIPXGFBFAEJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
Property Insights of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one. With a topological polar surface area (TPSA) of 57.6 Ų, 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-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)-4-hydroxy-1-methyl-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
What is the CAS number of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The CAS number of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is 165056-12-2.
What is the molecular formula of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The molecular formula of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is C13H12BrNO3.
What is the molecular weight of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The molecular weight of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one is 309.00006 g/mol.
Where can I buy 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
You can request a quote for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one?
Yes, CoreyChem provides custom synthesis services for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.