![Tris[4-(dimethylamino)phenyl]acetonitrile structure](/static/products/4457/4457-01-6.webp)
Tris[4-(dimethylamino)phenyl]acetonitrile
TL;DR: Tris[4-(dimethylamino)phenyl]acetonitrile (CAS 4457-01-6) is a chemical compound with molecular formula C26H30N4 and molecular weight 398.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-tris[4-(dimethylamino)phenyl]acetonitrile
Also Known As: Crystal Violet cyanide, Crystal Violet leuconitrile, tris[4-(dimethylamino)phenyl]acetonitrile, J1.438.542H, 2,2,2-tris(4-dimethylaminophenyl)acetonitrile
| Molecular Formula | C26H30N4 |
|---|---|
| Molecular Weight | 398.25 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.24704 |
| Heavy Atoms | 30 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 4457-01-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(C#N)(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C |
| InChIKey | SPTOONCAHFZDNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris[4-(dimethylamino)phenyl]acetonitrile (CAS 4457-01-6), with molecular formula C26H30N4 and molecular weight 398.25 g/mol. IUPAC: 2,2,2-tris[4-(dimethylamino)phenyl]acetonitrile.
Chemical Property Profile of Tris[4-(dimethylamino)phenyl]acetonitrile
Property Insights of Tris[4-(dimethylamino)phenyl]acetonitrile
The XLogP value of 5.1 indicates that Tris[4-(dimethylamino)phenyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.5 Ų, Tris[4-(dimethylamino)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris[4-(dimethylamino)phenyl]acetonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris[4-(dimethylamino)phenyl]acetonitrile?
The CAS number of Tris[4-(dimethylamino)phenyl]acetonitrile is 4457-01-6.
What is the molecular formula of Tris[4-(dimethylamino)phenyl]acetonitrile?
The molecular formula of Tris[4-(dimethylamino)phenyl]acetonitrile is C26H30N4.
What is the molecular weight of Tris[4-(dimethylamino)phenyl]acetonitrile?
The molecular weight of Tris[4-(dimethylamino)phenyl]acetonitrile is 398.25 g/mol.
Where can I buy Tris[4-(dimethylamino)phenyl]acetonitrile?
You can request a quote for Tris[4-(dimethylamino)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris[4-(dimethylamino)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Tris[4-(dimethylamino)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.