5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
TL;DR: 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile (CAS 71945-87-4) is a chemical compound with molecular formula C20H12ClN3 and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-chlorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
Also Known As: 5'-amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile, 3-amino-5-(4-chlorophenyl)-[1,1'-biphenyl]-2,4-dicarbonitrile, AB01331905-02, 2-amino-4-(4-chlorophenyl)-6-phenylbenzene-1,3-dicarbonitrile, 2-Amino-4-(4-chlorophenyl)-6-phenylisophthalonitrile
| Molecular Formula | C20H12ClN3 |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.07196 |
| Heavy Atoms | 24 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 71945-87-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=C(C=C3)Cl |
| InChIKey | SBMLICRGHZARTK-UHFFFAOYSA-N |
Product Overview
5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile (CAS 71945-87-4), with molecular formula C20H12ClN3 and molecular weight 329.07 g/mol. IUPAC: 2-amino-4-(4-chlorophenyl)-6-phenylbenzene-1,3-dicarbonitrile.
Chemical Property Profile of 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
Property Insights of 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
The XLogP value of 5.1 indicates that 5'-Amino-4-chloro-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-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile. Following Lipinski's Rule of Five, 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The CAS number of 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is 71945-87-4.
What is the molecular formula of 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The molecular formula of 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is C20H12ClN3.
What is the molecular weight of 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The molecular weight of 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is 329.07 g/mol.
Where can I buy 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
You can request a quote for 5'-Amino-4-chloro-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-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.