4-(1,3-Benzodioxol-5-yl)but-3-en-2-one
TL;DR: 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one (CAS 3160-37-0) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)but-3-en-2-one
Also Known As: Piperonal acetone, Piperonylidenaceton, Piperonylidene acetone, 3,4-(Methylenedioxy)benzalacetone, 4-(1,3-benzodioxol-5-yl)but-3-en-2-one
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 3160-37-0 |
|---|---|
| SMILES | CC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | XIYPXOFSURQTTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,3-Benzodioxol-5-yl)but-3-en-2-one (CAS 3160-37-0), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)but-3-en-2-one.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one
Property Insights of 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one 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
Frequently Asked Questions
What is the CAS number of 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one?
The CAS number of 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one is 3160-37-0.
What is the molecular formula of 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one?
The molecular formula of 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one is C11H10O3.
What is the molecular weight of 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one?
The molecular weight of 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one is 190.06 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one?
You can request a quote for 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.