(3,5-Dichloroanilino)ethenetricarbonitrile
TL;DR: (3,5-Dichloroanilino)ethenetricarbonitrile (CAS 106485-23-8) is a chemical compound with molecular formula C11H4Cl2N4 and molecular weight 261.9813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-dichloroanilino)ethene-1,1,2-tricarbonitrile
Also Known As: 3,5-Dcaetcn, (3,5-Dichloroanilino)ethenetricarbonitrile, 2-(3,5-dichloroanilino)ethene-1,1,2-tricarbonitrile, 5-(4-fluorophenyl)penta-2,4-dienal, ((3,5-Dichlorophenyl)amino)ethenetricarbonitrile
Technical Specifications
| Molecular Formula | C11H4Cl2N4 |
| Molecular Weight | 261.9813 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.9813 Da |
| Heavy Atoms | 17 |
| Complexity | 441.0 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)NC(=C(C#N)C#N)C#N |
| InChIKey | OUUMERYEKBEPAK-UHFFFAOYSA-N |
Chemical Property Profile of (3,5-Dichloroanilino)ethenetricarbonitrile
Property Insights of (3,5-Dichloroanilino)ethenetricarbonitrile
The XLogP value of 3.4 indicates that (3,5-Dichloroanilino)ethenetricarbonitrile 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 (3,5-Dichloroanilino)ethenetricarbonitrile. Following Lipinski's Rule of Five, (3,5-Dichloroanilino)ethenetricarbonitrile 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
What is the CAS number of (3,5-Dichloroanilino)ethenetricarbonitrile?
The CAS number of (3,5-Dichloroanilino)ethenetricarbonitrile is 106485-23-8.
What is the molecular formula of (3,5-Dichloroanilino)ethenetricarbonitrile?
The molecular formula of (3,5-Dichloroanilino)ethenetricarbonitrile is C11H4Cl2N4.
What is the molecular weight of (3,5-Dichloroanilino)ethenetricarbonitrile?
The molecular weight of (3,5-Dichloroanilino)ethenetricarbonitrile is 261.9813 g/mol.
Where can I buy (3,5-Dichloroanilino)ethenetricarbonitrile?
You can request a quote for (3,5-Dichloroanilino)ethenetricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,5-Dichloroanilino)ethenetricarbonitrile?
Yes, CoreyChem provides custom synthesis services for (3,5-Dichloroanilino)ethenetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.