(6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate
TL;DR: (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate (CAS 10342-50-4) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate
Also Known As: KST-1A0392, (6-prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate, [6-(prop-2-en-1-yl)-1,3-benzodioxol-5-yl]methyl acetate, 1,3-Benzodioxole-5-methanol,6-(2-propen-1-yl)-, 5-acetate, [6-(PROP-2-EN-1-YL)-2H-1,3-BENZODIOXOL-5-YL]METHYL ACETATE
Technical Specifications
| Molecular Formula | C13H14O4 |
| Molecular Weight | 234.0892 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.0892 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | CC(=O)OCC1=CC2=C(C=C1CC=C)OCO2 |
| InChIKey | XHLVJDTTZCRSGA-UHFFFAOYSA-N |
Chemical Property Profile of (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate
Property Insights of (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate. With a topological polar surface area (TPSA) of 44.8 Ų, (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate 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 (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate?
The CAS number of (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate is 10342-50-4.
What is the molecular formula of (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate?
The molecular formula of (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate is C13H14O4.
What is the molecular weight of (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate?
The molecular weight of (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate is 234.0892 g/mol.
Where can I buy (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate?
You can request a quote for (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate?
Yes, CoreyChem provides custom synthesis services for (6-Prop-2-enyl-1,3-benzodioxol-5-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.