(E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one
TL;DR: (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one (CAS 404591-76-0) is a chemical compound with molecular formula C17H16BrNO and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one
Also Known As: (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one, (2E)-1-(4-bromophenyl)-3-[(3,4-dimethylphenyl)amino]prop-2-en-1-one
| Molecular Formula | C17H16BrNO |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 4.87444 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.04153 |
| Heavy Atoms | 20 |
| Complexity | 644.5396 |
Chemical Identifiers
| CAS Number | 404591-76-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N/C=C/C(=O)C2=CC=C(C=C2)Br)C |
Product Overview
(E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one (CAS 404591-76-0), with molecular formula C17H16BrNO and molecular weight 329.04 g/mol. IUPAC: (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one
Property Insights of (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one
The XLogP value of 4.87444 indicates that (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)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 29.1 Ų, (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one has 1 hydrogen bond donor(s) and 2 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)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one?
The CAS number of (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one is 404591-76-0.
What is the molecular formula of (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one?
The molecular formula of (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one is C17H16BrNO.
What is the molecular weight of (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one?
The molecular weight of (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one is 329.04 g/mol.
Where can I buy (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one?
You can request a quote for (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)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)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-bromophenyl)-3-(3,4-dimethylanilino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.