2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
TL;DR: 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone (CAS 159647-53-7) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.09976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
Also Known As: 5-p-Pentylbiphenoxy-1-pentyne, 2-(1,3-benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone, AE-848/12560019, 2-(2H-1,3-benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethan-1-one, 2-(benzo[d][1,3]dioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
Technical Specifications
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.09976 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09976 Da |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
| SMILES | CCC1=CC(=C(C=C1O)O)C(=O)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | XUGRNSSQYYXXBH-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
Property Insights of 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
The XLogP value of 3.7 indicates that 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone has 2 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is 159647-53-7.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is C17H16O5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone is 300.09976 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.