2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
TL;DR: 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile (CAS 104581-09-1) is a chemical compound with molecular formula C21H14ClN3 and molecular weight 343.08762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
Also Known As: J2.539.027J, AB01331802-02, 5'-Amino-4''-chloro-4-methyl-[1,1':3',1'']terphenyl-4',6'-dicarbonitrile, 5'-amino-4-chloro-4''-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile, 2-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
Technical Specifications
| Molecular Formula | C21H14ClN3 |
| Molecular Weight | 343.08762 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.08762 Da |
| Heavy Atoms | 25 |
| Complexity | 542.0 |
| SMILES | CC1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=C(C=C3)Cl |
| InChIKey | AKBNFABCBKCCSF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
Property Insights of 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
The XLogP value of 5.5 indicates that 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile?
The CAS number of 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile is 104581-09-1.
What is the molecular formula of 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile?
The molecular formula of 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile is C21H14ClN3.
What is the molecular weight of 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile?
The molecular weight of 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile is 343.08762 g/mol.
Where can I buy 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile?
You can request a quote for 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4-(4-chlorophenyl)-6-(4-methylphenyl)benzene-1,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.