3-(tert-Butyldioxy)-3-phenylphthalide
TL;DR: 3-(tert-Butyldioxy)-3-phenylphthalide (CAS 25251-51-8) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butylperoxy-3-phenyl-2-benzofuran-1-one
Also Known As: 3- -3-phenylphthalide, 3-(tert-Butyldioxy)-3-phenylphthalide, 3-(tert-Butylperoxy)-3-phenylphthalide, 3-tert-butylperoxy-3-phenyl-2-benzofuran-1-one, 3-(tert-butylperoxy)-3-phenyl-2-benzofuran-1(3h)-one
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H18O4 |
| Molecular Weight | 298.1205 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.1205 Da |
| Heavy Atoms | 22 |
| Complexity | 408.0 |
| SMILES | CC(C)(C)OOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3 |
| InChIKey | JJHHIGCUQPTUHO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(tert-Butyldioxy)-3-phenylphthalide
Property Insights of 3-(tert-Butyldioxy)-3-phenylphthalide
The XLogP value of 3.8 indicates that 3-(tert-Butyldioxy)-3-phenylphthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3-(tert-Butyldioxy)-3-phenylphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-Butyldioxy)-3-phenylphthalide has 0 hydrogen bond donor(s) and 4 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-(tert-Butyldioxy)-3-phenylphthalide?
The CAS number of 3-(tert-Butyldioxy)-3-phenylphthalide is 25251-51-8.
What is the molecular formula of 3-(tert-Butyldioxy)-3-phenylphthalide?
The molecular formula of 3-(tert-Butyldioxy)-3-phenylphthalide is C18H18O4.
What is the molecular weight of 3-(tert-Butyldioxy)-3-phenylphthalide?
The molecular weight of 3-(tert-Butyldioxy)-3-phenylphthalide is 298.1205 g/mol.
Where can I buy 3-(tert-Butyldioxy)-3-phenylphthalide?
You can request a quote for 3-(tert-Butyldioxy)-3-phenylphthalide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(tert-Butyldioxy)-3-phenylphthalide?
Yes, CoreyChem provides custom synthesis services for 3-(tert-Butyldioxy)-3-phenylphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.