2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile
TL;DR: 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile (CAS 23957-72-4) is a chemical compound with molecular formula C14H12N4 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trimethylanilino)ethene-1,1,2-tricarbonitrile
Also Known As: Ethenetricarbonitrile, (2,4,6-trimethylanilino)-, 2-(2,4,6-Trimethylanilino)-1,1,2-ethenetricarbonitrile, 2-(2,4,6-trimethylanilino)ethene-1,1,2-tricarbonitrile, 2-(Mesitylamino)-1,1,2-ethylenetricarbonitrile, 2-(Mesitylamino)-1,1,2-ethylenetricarbonitrile #
| Molecular Formula | C14H12N4 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.1062 |
| Heavy Atoms | 18 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 23957-72-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=C(C#N)C#N)C#N)C |
| InChIKey | WKZSXUIEPPHMAQ-UHFFFAOYSA-N |
Product Overview
2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile (CAS 23957-72-4), with molecular formula C14H12N4 and molecular weight 236.11 g/mol. IUPAC: 2-(2,4,6-trimethylanilino)ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile
Property Insights of 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile
The XLogP value of 3.3 indicates that 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile. Following Lipinski's Rule of Five, 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile has 1 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-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile?
The CAS number of 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile is 23957-72-4.
What is the molecular formula of 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile?
The molecular formula of 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile is C14H12N4.
What is the molecular weight of 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile?
The molecular weight of 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile is 236.11 g/mol.
Where can I buy 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile?
You can request a quote for 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4,6-Trimethylanilino)ethene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.