![2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione structure](/static/products/161/161686-46-0.webp)
2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione
TL;DR: 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione (CAS 161686-46-0) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione
Also Known As: N-(4-Hydroxy-2-butenyl)phthalimide, J1.311.128F, 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione, 2-[(2E)-4-hydroxybut-2-enyl]-1H-isoindole-1,3(2H)-dione, 2-(4-hydroxybut-2-en-1-yl)-1H-isoindole-1,3(2H)-dione
Technical Specifications
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.0739 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 Da |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C/C=C/CO |
| InChIKey | NCKMGBNKBSCCKU-ONEGZZNKSA-N |
Chemical Property Profile of 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione
Property Insights of 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione. With a topological polar surface area (TPSA) of 57.6 Ų, 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione 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-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione?
The CAS number of 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione is 161686-46-0.
What is the molecular formula of 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione?
The molecular formula of 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione is C12H11NO3.
What is the molecular weight of 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione?
The molecular weight of 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione is 217.0739 g/mol.
Where can I buy 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione?
You can request a quote for 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-[(E)-4-hydroxybut-2-enyl]isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.