1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate
TL;DR: 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate (CAS 34627-78-6) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)prop-2-enyl acetate
Also Known As: 1'-Acetoxysafrole, 1 -Acetoxysafrole, 1-(1,3-benzodioxol-5-yl)prop-2-enyl acetate, 5-(1-Acetyloxy-2-propenyl)-1,3-benzodioxole, SID:126522437
Technical Specifications
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.07356 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.07356 Da |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
| SMILES | CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2 |
| InChIKey | TXUCQVJZBXYDKH-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate
Property Insights of 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-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 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate?
The CAS number of 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate is 34627-78-6.
What is the molecular formula of 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate?
The molecular formula of 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate is C12H12O4.
What is the molecular weight of 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate?
The molecular weight of 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate is 220.07356 g/mol.
Where can I buy 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate?
You can request a quote for 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.