Phthalide
TL;DR: Phthalide (CAS 87-41-2) is a chemical compound with molecular formula C8H6O2 and molecular weight 134.03677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3H-2-benzofuran-1-one
Also Known As: PHTHALIDE, Isobenzofuran-1(3H)-one, 1-Phthalanone, Phthalolactone, 1(3H)-Isobenzofuranone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6O2 |
| Molecular Weight | 134.03677 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.03677 Da |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
| Melting Point | 75 °C |
| SMILES | C1C2=CC=CC=C2C(=O)O1 |
| InChIKey | WNZQDUSMALZDQF-UHFFFAOYSA-N |
Product Description
Applications: Phthalide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Phthalide (CAS 87-41-2) is a heterocyclic building block with the molecular formula C8H6O2 and a molecular weight of 134.04 g/mol. Synonyms include PHTHALIDE and Isobenzofuran-1(3H)-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phthalide
Property Insights of Phthalide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalide. With a topological polar surface area (TPSA) of 26.3 Ų, Phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalide 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 Phthalide?
The CAS number of Phthalide is 87-41-2.
What is the molecular formula of Phthalide?
The molecular formula of Phthalide is C8H6O2.
What is the molecular weight of Phthalide?
The molecular weight of Phthalide is 134.03677 g/mol.
What are the applications of Phthalide?
Phthalide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Phthalide?
You can request a quote for Phthalide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalide?
Yes, CoreyChem provides custom synthesis services for Phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.