3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
TL;DR: 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one (CAS 139266-72-1) is a chemical compound with molecular formula C13H12N2O5 and molecular weight 276.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
Also Known As: BAS 00732798, AB00096935-01, 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one, 4-Acetyl-3-hydroxy-1-methyl-5-(4-nitro-phenyl)-1,5-dihydro-pyrrol-2-one, 4-acetyl-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
Technical Specifications
| Molecular Formula | C13H12N2O5 |
| Molecular Weight | 276.07462 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.07462 Da |
| Heavy Atoms | 20 |
| Complexity | 485.0 |
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C)O |
| InChIKey | JAQGTFWHIHLEQZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
Property Insights of 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one. Following Lipinski's Rule of Five, 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one has 1 hydrogen bond donor(s) and 5 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-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The CAS number of 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one is 139266-72-1.
What is the molecular formula of 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The molecular formula of 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one is C13H12N2O5.
What is the molecular weight of 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The molecular weight of 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one is 276.07462 g/mol.
Where can I buy 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
You can request a quote for 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-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-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one?
Yes, CoreyChem provides custom synthesis services for 3-acetyl-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.