![3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile structure](/static/products/219/21994-53-6.png)
3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile
TL;DR: 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile (CAS 21994-53-6) is a chemical compound with molecular formula C18H18N2 and molecular weight 262.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile
Also Known As: 3-(4-dimethylaminophenyl)-2-(3-methylphenyl)prop-2-enenitrile, 3-[4-(dimethylamino)phenyl]-2-(3-methylphenyl)acrylonitrile
| Molecular Formula | C18H18N2 |
|---|---|
| Molecular Weight | 262.15 g/mol |
| LogP | 4.1252 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.147 |
| Heavy Atoms | 20 |
| Complexity | 658.56274 |
Chemical Identifiers
| CAS Number | 21994-53-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=CC2=CC=C(C=C2)N(C)C)C#N |
Product Overview
3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile (CAS 21994-53-6), with molecular formula C18H18N2 and molecular weight 262.15 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile
Property Insights of 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile
The XLogP value of 4.1252 indicates that 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)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 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile?
The CAS number of 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile is 21994-53-6.
What is the molecular formula of 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile?
The molecular formula of 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile is C18H18N2.
What is the molecular weight of 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile?
The molecular weight of 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile is 262.15 g/mol.
Where can I buy 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile?
You can request a quote for 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)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 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Dimethylamino)phenyl]-2-(3-methylphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.