3-Piperonylcyclobutanone
TL;DR: 3-Piperonylcyclobutanone (CAS 157020-88-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-ylmethyl)cyclobutan-1-one
Also Known As: 3-Piperonylcyclobutanone, 3-(1,3-Benzodioxol-5-ylmethyl)cyclobutanone, 3-(1,3-benzodioxol-5-ylmethyl)cyclobutan-1-one, 3-(3,4-Methylenedioxybenzyl)cyclobutanone, 3-Piperonylcyclobutanone, >=98.0% (HPLC)
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
| SMILES | C1C(CC1=O)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | AWAOUJUBBHDZRM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Piperonylcyclobutanone
Property Insights of 3-Piperonylcyclobutanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Piperonylcyclobutanone. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Piperonylcyclobutanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperonylcyclobutanone 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 3-Piperonylcyclobutanone?
The CAS number of 3-Piperonylcyclobutanone is 157020-88-7.
What is the molecular formula of 3-Piperonylcyclobutanone?
The molecular formula of 3-Piperonylcyclobutanone is C12H12O3.
What is the molecular weight of 3-Piperonylcyclobutanone?
The molecular weight of 3-Piperonylcyclobutanone is 204.07864 g/mol.
Where can I buy 3-Piperonylcyclobutanone?
You can request a quote for 3-Piperonylcyclobutanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Piperonylcyclobutanone?
Yes, CoreyChem provides custom synthesis services for 3-Piperonylcyclobutanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.