3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone
TL;DR: 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone (CAS 143647-54-5) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2-methyl-3-(2-phenylethynyl)isoindol-1-one
Also Known As: 3-hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone, 3-hydroxy-2-methyl-3-(2-phenylethynyl)-2,3-dihydro-1H-isoindol-1-one, 2H-446S, 3-hydroxy-2-methyl-3-(2-phenylethynyl)isoindol-1-one, 3-hydroxy-2-methyl-3-(2-phenylethynyl)isoindolin-1-one
Technical Specifications
| Molecular Formula | C17H13NO2 |
| Molecular Weight | 263.09464 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.09464 Da |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
| SMILES | CN1C(=O)C2=CC=CC=C2C1(C#CC3=CC=CC=C3)O |
| InChIKey | HVJIMBAPXISOQJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone
Property Insights of 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone has 1 hydrogen bond donor(s) and 2 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-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone?
The CAS number of 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone is 143647-54-5.
What is the molecular formula of 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone?
The molecular formula of 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone is C17H13NO2.
What is the molecular weight of 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone?
The molecular weight of 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone is 263.09464 g/mol.
Where can I buy 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone?
You can request a quote for 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-2-methyl-3-(2-phenylethynyl)-1-isoindolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.