![4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile structure](/static/products/1653/16532-81-3.webp)
4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile
TL;DR: 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile (CAS 16532-81-3) is a chemical compound with molecular formula C18H15N3 and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
Also Known As: 4-[1-cyano-2-(4-dimethylaminophenyl)ethenyl]benzonitrile, 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile, 4-Cyano-alpha-[[4-(dimethylamino)phenyl]methylene]benzeneacetonitrile, 4-Cyano-I+/--[[4-(dimethylamino)phenyl]methylene]benzeneacetonitrile
| Molecular Formula | C18H15N3 |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 3.68846 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1266 |
| Heavy Atoms | 21 |
| Complexity | 724.0183 |
Chemical Identifiers
| CAS Number | 16532-81-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)C#N |
Product Overview
4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile (CAS 16532-81-3), with molecular formula C18H15N3 and molecular weight 273.13 g/mol. IUPAC: 4-[1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile.
Chemical Property Profile of 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile
Property Insights of 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile
The XLogP value of 3.68846 indicates that 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.82 Ų, 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile has 0 hydrogen bond donor(s) and 3 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 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile?
The CAS number of 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile is 16532-81-3.
What is the molecular formula of 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile?
The molecular formula of 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile is C18H15N3.
What is the molecular weight of 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile?
The molecular weight of 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile is 273.13 g/mol.
Where can I buy 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile?
You can request a quote for 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{1-Cyano-2-[4-(dimethylamino)phenyl]ethenyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.