Ethene-1,1,2-tricarbonitrile, 2-phenylamino-
TL;DR: Ethene-1,1,2-tricarbonitrile, 2-phenylamino- (CAS 41996-49-0) is a chemical compound with molecular formula C11H6N4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilinoethene-1,1,2-tricarbonitrile
Also Known As: tricyanovinylaniline, anilino-ethenetricarbonitrile, 2-anilinoethene-1,1,2-tricarbonitrile, 2-Anilino-1,1,2-ethylenetricarbonitrile, Ethene-1,1,2-tricarbonitrile, 2-phenylamino-
| Molecular Formula | C11H6N4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.05925 |
| Heavy Atoms | 15 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 41996-49-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=C(C#N)C#N)C#N |
| InChIKey | FDHBAJHCCXLMCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethene-1,1,2-tricarbonitrile, 2-phenylamino- (CAS 41996-49-0), with molecular formula C11H6N4 and molecular weight 194.06 g/mol. IUPAC: 2-anilinoethene-1,1,2-tricarbonitrile.
Chemical Property Profile of Ethene-1,1,2-tricarbonitrile, 2-phenylamino-
Property Insights of Ethene-1,1,2-tricarbonitrile, 2-phenylamino-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethene-1,1,2-tricarbonitrile, 2-phenylamino-. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethene-1,1,2-tricarbonitrile, 2-phenylamino-. Following Lipinski's Rule of Five, Ethene-1,1,2-tricarbonitrile, 2-phenylamino- 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 Ethene-1,1,2-tricarbonitrile, 2-phenylamino-?
The CAS number of Ethene-1,1,2-tricarbonitrile, 2-phenylamino- is 41996-49-0.
What is the molecular formula of Ethene-1,1,2-tricarbonitrile, 2-phenylamino-?
The molecular formula of Ethene-1,1,2-tricarbonitrile, 2-phenylamino- is C11H6N4.
What is the molecular weight of Ethene-1,1,2-tricarbonitrile, 2-phenylamino-?
The molecular weight of Ethene-1,1,2-tricarbonitrile, 2-phenylamino- is 194.06 g/mol.
Where can I buy Ethene-1,1,2-tricarbonitrile, 2-phenylamino-?
You can request a quote for Ethene-1,1,2-tricarbonitrile, 2-phenylamino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethene-1,1,2-tricarbonitrile, 2-phenylamino-?
Yes, KEHONG BIO provides custom synthesis services for Ethene-1,1,2-tricarbonitrile, 2-phenylamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.