2,2-Dimethyl-4-oxo-4-phenylbutanoic acid
TL;DR: 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid (CAS 1515-05-5) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-4-oxo-4-phenylbutanoic acid
Also Known As: 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid, 2,2-Dimethyl-4-oxo-4-phenylbutyric acid, 2,2-DIMETHYL-4-OXO-4-PHENYL-BUTYRIC ACID, Propionic acid, 3-benzoyl-2,2-dimethyl-, 4683AD
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
| SMILES | CC(C)(CC(=O)C1=CC=CC=C1)C(=O)O |
| InChIKey | IGOADEDHOFTRIG-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid
Property Insights of 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid 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 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid?
The CAS number of 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid is 1515-05-5.
What is the molecular formula of 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid is C12H14O3.
What is the molecular weight of 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid is 206.0943 g/mol.
Where can I buy 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.