(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
TL;DR: (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one (CAS 147722-93-8) is a chemical compound with molecular formula C17H12BrFO4 and molecular weight 377.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
Also Known As: (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one, (2E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one, (2E)-3-(6-bromo(2H,4H-benzo[e]1,3-dioxan-8-yl))-1-(5-fluoro-2-hydroxyphenyl)pr op-2-en-1-one, (E)-3-(6-bromo-4H-benzo[d][1,3]dioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
| Molecular Formula | C17H12BrFO4 |
|---|---|
| Molecular Weight | 377.99 g/mol |
| LogP | 4.0564 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.9903 |
| Heavy Atoms | 23 |
| Complexity | 801.42065 |
Chemical Identifiers
| CAS Number | 147722-93-8 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Br)/C=C/C(=O)C3=C(C=CC(=C3)F)O)OCO1 |
Product Overview
(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one (CAS 147722-93-8), with molecular formula C17H12BrFO4 and molecular weight 377.99 g/mol. IUPAC: (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
Property Insights of (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
The XLogP value of 4.0564 indicates that (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 4 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 (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The CAS number of (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is 147722-93-8.
What is the molecular formula of (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The molecular formula of (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is C17H12BrFO4.
What is the molecular weight of (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The molecular weight of (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is 377.99 g/mol.
Where can I buy (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
You can request a quote for (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.