2,2,2-Tris(4-aminophenyl)acetonitrile
TL;DR: 2,2,2-Tris(4-aminophenyl)acetonitrile (CAS 4439-05-8) is a chemical compound with molecular formula C20H18N4 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-tris(4-aminophenyl)acetonitrile
Also Known As: Pararosaniline cyanide, Basic Fuchsin leuconitrile, Pararosaniline leuconitrile, 2,2,2-tris(4-aminophenyl)acetonitrile, Tris(4-aminophenyl)acetonitrile
| Molecular Formula | C20H18N4 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.15314 |
| Heavy Atoms | 24 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 4439-05-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)N |
| InChIKey | CREJIZMWIBUNAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Tris(4-aminophenyl)acetonitrile (CAS 4439-05-8), with molecular formula C20H18N4 and molecular weight 314.15 g/mol. IUPAC: 2,2,2-tris(4-aminophenyl)acetonitrile.
Chemical Property Profile of 2,2,2-Tris(4-aminophenyl)acetonitrile
Property Insights of 2,2,2-Tris(4-aminophenyl)acetonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Tris(4-aminophenyl)acetonitrile. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Tris(4-aminophenyl)acetonitrile. Following Lipinski's Rule of Five, 2,2,2-Tris(4-aminophenyl)acetonitrile has 3 hydrogen bond donor(s) and 4 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 2,2,2-Tris(4-aminophenyl)acetonitrile?
The CAS number of 2,2,2-Tris(4-aminophenyl)acetonitrile is 4439-05-8.
What is the molecular formula of 2,2,2-Tris(4-aminophenyl)acetonitrile?
The molecular formula of 2,2,2-Tris(4-aminophenyl)acetonitrile is C20H18N4.
What is the molecular weight of 2,2,2-Tris(4-aminophenyl)acetonitrile?
The molecular weight of 2,2,2-Tris(4-aminophenyl)acetonitrile is 314.15 g/mol.
Where can I buy 2,2,2-Tris(4-aminophenyl)acetonitrile?
You can request a quote for 2,2,2-Tris(4-aminophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Tris(4-aminophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Tris(4-aminophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.