Ethenetricarbonitrile, (o-ethylanilino)-
TL;DR: Ethenetricarbonitrile, (o-ethylanilino)- (CAS 23957-71-3) is a chemical compound with molecular formula C13H10N4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethylanilino)ethene-1,1,2-tricarbonitrile
Also Known As: Ethenetricarbonitrile, (o-ethylanilino)-, 2-1,1,2-ethenetricarbonitrile, 2- -1,1,2-ethenetricarbonitrile, 2-(2-ethylanilino)ethene-1,1,2-tricarbonitrile, (2-Ethylanilino)ethene-1,1,2-tricarbonitrile
| Molecular Formula | C13H10N4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.09055 |
| Heavy Atoms | 17 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 23957-71-3 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=C(C#N)C#N)C#N |
| InChIKey | RXPUVZYQOJOEQU-UHFFFAOYSA-N |
Product Overview
Ethenetricarbonitrile, (o-ethylanilino)- (CAS 23957-71-3), with molecular formula C13H10N4 and molecular weight 222.09 g/mol. IUPAC: 2-(2-ethylanilino)ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of Ethenetricarbonitrile, (o-ethylanilino)-
Property Insights of Ethenetricarbonitrile, (o-ethylanilino)-
The XLogP value of 3.0 indicates that Ethenetricarbonitrile, (o-ethylanilino)- 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 Ethenetricarbonitrile, (o-ethylanilino)-. Following Lipinski's Rule of Five, Ethenetricarbonitrile, (o-ethylanilino)- 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 Ethenetricarbonitrile, (o-ethylanilino)-?
The CAS number of Ethenetricarbonitrile, (o-ethylanilino)- is 23957-71-3.
What is the molecular formula of Ethenetricarbonitrile, (o-ethylanilino)-?
The molecular formula of Ethenetricarbonitrile, (o-ethylanilino)- is C13H10N4.
What is the molecular weight of Ethenetricarbonitrile, (o-ethylanilino)-?
The molecular weight of Ethenetricarbonitrile, (o-ethylanilino)- is 222.09 g/mol.
Where can I buy Ethenetricarbonitrile, (o-ethylanilino)-?
You can request a quote for Ethenetricarbonitrile, (o-ethylanilino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethenetricarbonitrile, (o-ethylanilino)-?
Yes, KEHONG BIO provides custom synthesis services for Ethenetricarbonitrile, (o-ethylanilino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.