3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
TL;DR: 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one (CAS 1893-74-9) is a chemical compound with molecular formula C16H10BrFO4 and molecular weight 363.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyph, 3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
| Molecular Formula | C16H10BrFO4 |
|---|---|
| Molecular Weight | 363.97 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.97464 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 1893-74-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=C(C(=CC(=C3)F)Br)O |
| InChIKey | QRMRZHBBFDDXFE-UHFFFAOYSA-N |
Product Overview
3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one (CAS 1893-74-9), with molecular formula C16H10BrFO4 and molecular weight 363.97 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
Property Insights of 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
The XLogP value of 4.5 indicates that 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-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 55.8 Ų, 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-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, 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 5 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 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is 1893-74-9.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is C16H10BrFO4.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one is 363.97 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-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 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.