3',4'-(Methylenedioxy)isobutyrophenone
TL;DR: 3',4'-(Methylenedioxy)isobutyrophenone (CAS 67292-69-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-2-methylpropan-1-one
Also Known As: ISOBUTYROPHENONE, 3',4'-(METHYLENEDIOXY)-, 3',4'-(Methylenedioxy)isobutyrophenone, 5-Isobutyryl-1,3-benzodioxole, 1-(Benzo[d][1,3]dioxol-5-yl)-2-methylpropan-1-one, 3',4'-Methylenedioxyisobutyrophenone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.07864 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.07864 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | CC(C)C(=O)C1=CC2=C(C=C1)OCO2 |
| InChIKey | DEKHBCCIHCQNFM-UHFFFAOYSA-N |
Chemical Property Profile of 3',4'-(Methylenedioxy)isobutyrophenone
Property Insights of 3',4'-(Methylenedioxy)isobutyrophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4'-(Methylenedioxy)isobutyrophenone. With a topological polar surface area (TPSA) of 35.5 Ų, 3',4'-(Methylenedioxy)isobutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4'-(Methylenedioxy)isobutyrophenone 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',4'-(Methylenedioxy)isobutyrophenone?
The CAS number of 3',4'-(Methylenedioxy)isobutyrophenone is 67292-69-7.
What is the molecular formula of 3',4'-(Methylenedioxy)isobutyrophenone?
The molecular formula of 3',4'-(Methylenedioxy)isobutyrophenone is C11H12O3.
What is the molecular weight of 3',4'-(Methylenedioxy)isobutyrophenone?
The molecular weight of 3',4'-(Methylenedioxy)isobutyrophenone is 192.07864 g/mol.
Where can I buy 3',4'-(Methylenedioxy)isobutyrophenone?
You can request a quote for 3',4'-(Methylenedioxy)isobutyrophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3',4'-(Methylenedioxy)isobutyrophenone?
Yes, CoreyChem provides custom synthesis services for 3',4'-(Methylenedioxy)isobutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.