2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-
TL;DR: 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- (CAS 126266-78-2) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-one
Also Known As: 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-, 1-(1,3-Benzodioxol-5-yl)-3-phenyl-2-propanone, 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-one, 1-BENZO[1,3]DIOXOL-5-YL-3-PHENYL-PROPAN-1-ONE, 3,3-dichloro-1,1,1-trifluoropropan-2-one
Technical Specifications
| Molecular Formula | C16H14O3 |
| Molecular Weight | 254.0943 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0943 Da |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CCC3=CC=CC=C3 |
| InChIKey | KWERTVJSMBTGIA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-
Property Insights of 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-
The XLogP value of 3.3 indicates that 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- 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 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-?
The CAS number of 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- is 126266-78-2.
What is the molecular formula of 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-?
The molecular formula of 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- is C16H14O3.
What is the molecular weight of 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-?
The molecular weight of 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- is 254.0943 g/mol.
Where can I buy 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-?
You can request a quote for 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-?
Yes, CoreyChem provides custom synthesis services for 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.