![2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile structure](/static/products/945/94541-41-0.png)
2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
TL;DR: 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 94541-41-0) is a chemical compound with molecular formula C17H15BrN2 and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Also Known As: 2-(3-Bromophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrile, 2-(3-bromophenyl)-3-(4-dimethylaminophenyl)prop-2-enenitrile, (Z)-2-(3-bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enen
| Molecular Formula | C17H15BrN2 |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.04187 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 94541-41-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC(=CC=C2)Br |
| InChIKey | DSEOGRHUQQIMNF-UHFFFAOYSA-N |
Product Overview
2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CAS 94541-41-0), with molecular formula C17H15BrN2 and molecular weight 326.04 g/mol. IUPAC: 2-(3-bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Property Insights of 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
The XLogP value of 4.5 indicates that 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile has 0 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 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The CAS number of 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is 94541-41-0.
What is the molecular formula of 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular formula of 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is C17H15BrN2.
What is the molecular weight of 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The molecular weight of 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is 326.04 g/mol.
Where can I buy 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
You can request a quote for 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.