4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid
TL;DR: 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid (CAS 150568-15-3) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoic acid
Also Known As: 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoic acid, 4-(3,3-dimethyl-2-oxo-1-azetanyl)benzenecarboxylic acid, 4-(3,3-dimethyl-2-oxo-azetidin-1-yl)benzoic Acid, 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoicacid, 4-(3,3-Dimethyl-2-oxo-1-azetidinyl)benzoic acid
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
| SMILES | CC1(CN(C1=O)C2=CC=C(C=C2)C(=O)O)C |
| InChIKey | KWFCBMNDYWRWQZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid
Property Insights of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic 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 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid?
The CAS number of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid is 150568-15-3.
What is the molecular formula of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid?
The molecular formula of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid is C12H13NO3.
What is the molecular weight of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid?
The molecular weight of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid is 219.08954 g/mol.
Where can I buy 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid?
You can request a quote for 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.