(E)-3-Isobutylidenephthalide
TL;DR: (E)-3-Isobutylidenephthalide (CAS 88542-70-5) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpropylidene)-2-benzofuran-1-one
Also Known As: (E)-3-Isobutylidenephthalide, 3-Isobutyliden-phthalid, 3-Isobutylidenephthalide, Butylphthalide Impurity 51, 2-Methylpropylidenephthalide (E)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.08372 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 Da |
| Heavy Atoms | 14 |
| Complexity | 265.0 |
| SMILES | CC(C)C=C1C2=CC=CC=C2C(=O)O1 |
| InChIKey | LYSNVWBBICAAMS-UHFFFAOYSA-N |
Chemical Property Profile of (E)-3-Isobutylidenephthalide
Property Insights of (E)-3-Isobutylidenephthalide
The XLogP value of 3.0 indicates that (E)-3-Isobutylidenephthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (E)-3-Isobutylidenephthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-Isobutylidenephthalide 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 (E)-3-Isobutylidenephthalide?
The CAS number of (E)-3-Isobutylidenephthalide is 88542-70-5.
What is the molecular formula of (E)-3-Isobutylidenephthalide?
The molecular formula of (E)-3-Isobutylidenephthalide is C12H12O2.
What is the molecular weight of (E)-3-Isobutylidenephthalide?
The molecular weight of (E)-3-Isobutylidenephthalide is 188.08372 g/mol.
Where can I buy (E)-3-Isobutylidenephthalide?
You can request a quote for (E)-3-Isobutylidenephthalide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-Isobutylidenephthalide?
Yes, CoreyChem provides custom synthesis services for (E)-3-Isobutylidenephthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.