Apiole
TL;DR: Apiole (CAS 523-80-8) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole
Also Known As: Apiole, Apioline, Apiol, Apiole (parsley), Parsley apiole
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.0892 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 Da |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
| Melting Point | 30 °C |
| Boiling Point | 294.00 to 295.00 °C. @ 760.00 mm Hg |
| Density | 1.124-1.135 |
| Refractive Index | 1.536-1.538 |
| Solubility | Insoluble in water; soluble in ether, acetone and glacial acetic acid |
| SMILES | COC1=C2C(=C(C(=C1)CC=C)OC)OCO2 |
| InChIKey | QQRSPHJOOXUALR-UHFFFAOYSA-N |
Product Description
Applications: Apiole is used in pharmaceutical synthesis routes and API production, 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).
Apiole (CAS 523-80-8) is a pharmaceutical intermediate with the molecular formula C12H14O4 and a molecular weight of 222.09 g/mol. Key physical properties include a density of 1.124-1.135 g/cm³, a solubility: Insoluble in water; soluble in ether, acetone and glacial acetic acid. Synonyms include Apiole and Apioline.
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 Apiole
Property Insights of Apiole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apiole. With a topological polar surface area (TPSA) of 36.9 Ų, Apiole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apiole 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 Apiole?
The CAS number of Apiole is 523-80-8.
What is the molecular formula of Apiole?
The molecular formula of Apiole is C12H14O4.
What is the molecular weight of Apiole?
The molecular weight of Apiole is 222.0892 g/mol.
What are the applications of Apiole?
Apiole is used in pharmaceutical synthesis routes and API production, 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...
Where can I buy Apiole?
You can request a quote for Apiole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Apiole?
Yes, CoreyChem provides custom synthesis services for Apiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.