2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
TL;DR: 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid (CAS 15206-85-6) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
Also Known As: 2-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid, 4-{4-nitrophenyl}-2-methyl-4-oxobutanoic acid, AE-562/12222011
Technical Specifications
| Molecular Formula | C11H11NO5 |
| Molecular Weight | 237.06372 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | CC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | PRMRZXDCDPVYAZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
Property Insights of 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid 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 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid?
The CAS number of 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid is 15206-85-6.
What is the molecular formula of 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid?
The molecular formula of 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid is C11H11NO5.
What is the molecular weight of 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid?
The molecular weight of 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid is 237.06372 g/mol.
Where can I buy 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid?
You can request a quote for 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.