Acetopiperone
TL;DR: Acetopiperone (CAS 3162-29-6) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)ethanone
Also Known As: Acetopiperone, 3',4'-(Methylenedioxy)acetophenone, 5-Acetyl-1,3-benzodioxole, 1-(Benzo[d][1,3]dioxol-5-yl)ethanone, 3,4-Methylenedioxyacetophenone
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.04735 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04735 Da |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
| SMILES | CC(=O)C1=CC2=C(C=C1)OCO2 |
| InChIKey | BMHMKWXYXFBWMI-UHFFFAOYSA-N |
Chemical Property Profile of Acetopiperone
Property Insights of Acetopiperone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetopiperone. With a topological polar surface area (TPSA) of 35.5 Ų, Acetopiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetopiperone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetopiperone?
The CAS number of Acetopiperone is 3162-29-6.
What is the molecular formula of Acetopiperone?
The molecular formula of Acetopiperone is C9H8O3.
What is the molecular weight of Acetopiperone?
The molecular weight of Acetopiperone is 164.04735 g/mol.
Where can I buy Acetopiperone?
You can request a quote for Acetopiperone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetopiperone?
Yes, CoreyChem provides custom synthesis services for Acetopiperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.