2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid
TL;DR: 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid (CAS 106690-35-1) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoic acid
Also Known As: 2-(1,3-benzodioxol-5-yloxy)-2-methyl-propanoic acid, 2-benzo[1,3]dioxol-5-yloxy-2-methyl-propanoic Acid, 2-(1,3-BENZODIOXOL-5-YLOXY)-2-METHYLPROPANOIC ACID
Technical Specifications
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.06847 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06847 Da |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
| SMILES | CC(C)(C(=O)O)OC1=CC2=C(C=C1)OCO2 |
| InChIKey | QYSLXFLTIMZBGK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid
Property Insights of 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid?
The CAS number of 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid is 106690-35-1.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid is C11H12O5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid is 224.06847 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Benzodioxol-5-yloxy)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.