N-(2-Butynyl)phthalimide
TL;DR: N-(2-Butynyl)phthalimide (CAS 113439-83-1) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-but-2-ynylisoindole-1,3-dione
Also Known As: N-(2-Butynyl)phthalimide, 4-Phthalimido-2-butyne, 2-(But-2-yn-1-yl)isoindoline-1,3-dione, 1-Phthalimido-2-butyne, 2-but-2-ynylisoindole-1,3-dione
Technical Specifications
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.06332 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.06332 Da |
| Heavy Atoms | 15 |
| Complexity | 336.0 |
| SMILES | CC#CCN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | COPWPECHFWIYSP-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-Butynyl)phthalimide
Property Insights of N-(2-Butynyl)phthalimide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Butynyl)phthalimide. With a topological polar surface area (TPSA) of 37.4 Ų, N-(2-Butynyl)phthalimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Butynyl)phthalimide has 0 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 N-(2-Butynyl)phthalimide?
The CAS number of N-(2-Butynyl)phthalimide is 113439-83-1.
What is the molecular formula of N-(2-Butynyl)phthalimide?
The molecular formula of N-(2-Butynyl)phthalimide is C12H9NO2.
What is the molecular weight of N-(2-Butynyl)phthalimide?
The molecular weight of N-(2-Butynyl)phthalimide is 199.06332 g/mol.
Where can I buy N-(2-Butynyl)phthalimide?
You can request a quote for N-(2-Butynyl)phthalimide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Butynyl)phthalimide?
Yes, CoreyChem provides custom synthesis services for N-(2-Butynyl)phthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.