Propylidenephthalide
TL;DR: Propylidenephthalide (CAS 17369-59-4) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-propylidene-2-benzofuran-1-one
Also Known As: 3-PROPYLIDENEPHTHALIDE, Propylidene phthalide, Propylidenephthalide, 3-Propylidene phthalide, Isopropylidenephthalide
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10O2 |
| Molecular Weight | 174.06808 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06808 Da |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
| Boiling Point | 343 to 347 °F at 15 mmHg (NTP, 1992) |
| Density | 1.135 at 74.7 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Refractive Index | 1.557-1.562 |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | CCC=C1C2=CC=CC=C2C(=O)O1 |
| InChIKey | NGSZDVVHIGAMOJ-UHFFFAOYSA-N |
Chemical Property Profile of Propylidenephthalide
Property Insights of Propylidenephthalide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylidenephthalide. With a topological polar surface area (TPSA) of 26.3 Ų, Propylidenephthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylidenephthalide 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 Propylidenephthalide?
The CAS number of Propylidenephthalide is 17369-59-4.
What is the molecular formula of Propylidenephthalide?
The molecular formula of Propylidenephthalide is C11H10O2.
What is the molecular weight of Propylidenephthalide?
The molecular weight of Propylidenephthalide is 174.06808 g/mol.
Where can I buy Propylidenephthalide?
You can request a quote for Propylidenephthalide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propylidenephthalide?
Yes, CoreyChem provides custom synthesis services for Propylidenephthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.