3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
TL;DR: 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid (CAS 1448189-64-7) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid
Also Known As: 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid, 3,3-dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid, 3,3-dimethyl-2-(3-oxo-1H-isoindol-2-yl)butanoic Acid, 4N-029, 3,3-dimethyl-2-(1-oxoisoindolin-2-yl)butanoic acid
Technical Specifications
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.12085 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 Da |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
| SMILES | CC(C)(C)C(C(=O)O)N1CC2=CC=CC=C2C1=O |
| InChIKey | MXATWGSJZOCHSJ-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
Property Insights of 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic 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 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid?
The CAS number of 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid is 1448189-64-7.
What is the molecular formula of 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid?
The molecular formula of 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid is C14H17NO3.
What is the molecular weight of 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid?
The molecular weight of 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid is 247.12085 g/mol.
Where can I buy 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid?
You can request a quote for 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 3,3-dimethyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.