2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile
TL;DR: 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile (CAS 36337-28-7) is a chemical compound with molecular formula C20H13N3 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile
Also Known As: TimTec1_000090, 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile, 2-Amino-4,6-diphenylisophthalonitrile, 3-Amino-5-phenylbiphenyl-2,4-dicarbonitrile, 5'-amino-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
| Molecular Formula | C20H13N3 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.11096 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 36337-28-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=CC=C3 |
| InChIKey | FYLKFHCJXCBNQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile (CAS 36337-28-7), with molecular formula C20H13N3 and molecular weight 295.11 g/mol. IUPAC: 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile.
Chemical Property Profile of 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile
Property Insights of 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile
The XLogP value of 4.5 indicates that 2-Amino-4,6-diphenylbenzene-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-4,6-diphenylbenzene-1,3-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4,6-diphenylbenzene-1,3-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 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
The CAS number of 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile is 36337-28-7.
What is the molecular formula of 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
The molecular formula of 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile is C20H13N3.
What is the molecular weight of 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
The molecular weight of 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile is 295.11 g/mol.
Where can I buy 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
You can request a quote for 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,6-diphenylbenzene-1,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.