Apiole
TL;DR: Apiole (CAS 523-80-8) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole
Also Known As: Apiole, Apioline, Apiol, Apiole (parsley), Parsley apiole
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| 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 |
| Solubility | Insoluble in water; soluble in ether, acetone and glacial acetic acid |
| Refractive Index | 1.536-1.538 |
Chemical Identifiers
| CAS Number | 523-80-8 |
|---|---|
| SMILES | COC1=C2C(=C(C(=C1)CC=C)OC)OCO2 |
| InChIKey | QQRSPHJOOXUALR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Apiole (CAS 523-80-8), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole.
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
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 222.09 g/mol.
Where can I buy Apiole?
You can request a quote for Apiole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apiole?
Yes, KEHONG BIO provides custom synthesis services for Apiole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.