5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
TL;DR: 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile (CAS 220125-80-4) is a chemical compound with molecular formula C20H12N4O2 and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-nitrophenyl)-6-phenylbenzene-1,3-dicarbonitrile
Also Known As: 5'-amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile, 3-amino-5-(3-nitrophenyl)-[1,1'-biphenyl]-2,4-dicarbonitrile, J1.038.710H, 2-amino-4-(3-nitrophenyl)-6-phenylbenzene-1,3-dicarbonitrile, 5'-Amino-3-nitro-[1,1':3',1''-terphenyl]-4',6'-dicarbonitrile
| Molecular Formula | C20H12N4O2 |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 4.25436 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.09604 |
| Heavy Atoms | 26 |
| Complexity | 1093.2745 |
Chemical Identifiers
| CAS Number | 220125-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile (CAS 220125-80-4), with molecular formula C20H12N4O2 and molecular weight 340.10 g/mol. IUPAC: 2-amino-4-(3-nitrophenyl)-6-phenylbenzene-1,3-dicarbonitrile.
Chemical Property Profile of 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
Property Insights of 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
The XLogP value of 4.25436 indicates that 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile. Following Lipinski's Rule of Five, 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile has 1 hydrogen bond donor(s) and 5 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-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The CAS number of 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is 220125-80-4.
What is the molecular formula of 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The molecular formula of 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is C20H12N4O2.
What is the molecular weight of 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
The molecular weight of 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile is 340.10 g/mol.
Where can I buy 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
You can request a quote for 5'-Amino-3-nitro-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-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5'-Amino-3-nitro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.