5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
TL;DR: 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile (CAS 77198-51-7) is a chemical compound with molecular formula C21H15N3 and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
Also Known As: 5'-amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile, 2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile, 3-AMINO-5-(4-METHYLPHENYL)-[1,1'-BIPHENYL]-2,4-DICARBONITRILE, 4-Phenyl-6-(4-methylphenyl)-2-aminoisophthalonitrile, 5'-Amino-4-methyl-[1,1':3',1''-terphenyl]-4',6'-dicarbonitrile
| Molecular Formula | C21H15N3 |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 4.65458 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.1266 |
| Heavy Atoms | 24 |
| Complexity | 972.82294 |
Chemical Identifiers
| CAS Number | 77198-51-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=C(C(=C2)C3=CC=CC=C3)C#N)N)C#N |
Product Overview
5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile (CAS 77198-51-7), with molecular formula C21H15N3 and molecular weight 309.13 g/mol. IUPAC: 2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile.
Chemical Property Profile of 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
Property Insights of 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
The XLogP value of 4.65458 indicates that 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-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 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile. Following Lipinski's Rule of Five, 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile has 1 hydrogen bond donor(s) and 3 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 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The CAS number of 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is 77198-51-7.
What is the molecular formula of 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The molecular formula of 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is C21H15N3.
What is the molecular weight of 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The molecular weight of 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is 309.13 g/mol.
Where can I buy 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
You can request a quote for 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5'-Amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.