2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile
TL;DR: 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile (CAS 23957-73-5) 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-(4-amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile
Also Known As: 2- -1,1,2-ethenetricarbonitrile, Ethenetricarbonitrile, (4-amino-2,5-xylyl)-, 2-(4-amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile, 2-(4-Amino-2,5-xylyl)-1,1,2-ethenetricarbonitrile, (4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile
| Molecular Formula | C13H10N4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.09055 |
| Heavy Atoms | 17 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 23957-73-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)C)C(=C(C#N)C#N)C#N |
| InChIKey | LTZWOBIBEKRKQL-UHFFFAOYSA-N |
Product Overview
2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile (CAS 23957-73-5), with molecular formula C13H10N4 and molecular weight 222.09 g/mol. IUPAC: 2-(4-amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile
Property Insights of 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile. Following Lipinski's Rule of Five, 2-(4-Amino-2,5-dimethylphenyl)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-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile?
The CAS number of 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile is 23957-73-5.
What is the molecular formula of 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile?
The molecular formula of 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile is C13H10N4.
What is the molecular weight of 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile?
The molecular weight of 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile is 222.09 g/mol.
Where can I buy 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile?
You can request a quote for 2-(4-Amino-2,5-dimethylphenyl)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-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amino-2,5-dimethylphenyl)ethene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.