1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one (CAS 1646574-38-0) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one, 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)prop-2-en-1-one, (E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-(dimethylamino)prop-2-en-1-one, 1-(Benzo[d][1,3]dioxol-5-yl)-3-(dimethylamino)prop-2-en-1-one, 1-(2H-1,3-benzodioxol-5-yl)-3-(dimethylamino)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
| SMILES | CN(C)C=CC(=O)C1=CC2=C(C=C1)OCO2 |
| InChIKey | DQXBTVFTJSCGEJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one. With a topological polar surface area (TPSA) of 38.8 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one 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-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one is 1646574-38-0.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one is C12H13NO3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one is 219.08954 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.