![(2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one structure](/static/products/859/859664-89-4.png)
(2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one
TL;DR: (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one (CAS 859664-89-4) is a chemical compound with molecular formula C21H22BrNO4 and molecular weight 431.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-bromophenyl)-3-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]prop-2-en-1-one
Also Known As: (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one, (E)-1-(4-bromophenyl)-3-(6-(2-(dimethylamino)ethyl)-4-methoxybenzo[d][1,3]dioxol-5-yl)prop-2-en-1-one, (E)-1-(4-bromophenyl)-3-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]prop-2-en-1-one, 1-(4-bromophenyl)-3-[6-(2-dimethylaminoethyl)-4-methoxy-benzo[1,3]dioxol-5-yl]prop-2-en-1-one
| Molecular Formula | C21H22BrNO4 |
|---|---|
| Molecular Weight | 431.07 g/mol |
| LogP | 4.1866 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.0732 |
| Heavy Atoms | 27 |
| Complexity | 859.4756 |
Chemical Identifiers
| CAS Number | 859664-89-4 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C(=C1/C=C/C(=O)C3=CC=C(C=C3)Br)OC)OCO2 |
Product Overview
(2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one (CAS 859664-89-4), with molecular formula C21H22BrNO4 and molecular weight 431.07 g/mol. IUPAC: (E)-1-(4-bromophenyl)-3-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]prop-2-en-1-one.
Chemical Property Profile of (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one
Property Insights of (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one
The XLogP value of 4.1866 indicates that (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}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 48.0 Ų, (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one has 0 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 (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one?
The CAS number of (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one is 859664-89-4.
What is the molecular formula of (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one?
The molecular formula of (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one is C21H22BrNO4.
What is the molecular weight of (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one?
The molecular weight of (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one is 431.07 g/mol.
Where can I buy (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one?
You can request a quote for (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}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 (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-(4-bromophenyl)-3-{6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.