2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
TL;DR: 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile (CAS 71945-85-2) is a chemical compound with molecular formula C21H13FN4 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
Also Known As: BAS 02564970, 2-amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile, 2-amino-6-(4-fluorophenyl)-4-phenyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile, 2-AMINO-1,3-DICYANO-6-(4-FLUOROPHENYL)-4-PHENYL-2,4-CYCLOHEXADIENYL CYANIDE, 2-Amino-6-(4-fluoro-phenyl)-4-phenyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile
| Molecular Formula | C21H13FN4 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 3.77644 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.11243 |
| Heavy Atoms | 26 |
| Complexity | 1014.6492 |
Chemical Identifiers
| CAS Number | 71945-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F |
Product Overview
2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile (CAS 71945-85-2), with molecular formula C21H13FN4 and molecular weight 340.11 g/mol. IUPAC: 2-amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile.
Chemical Property Profile of 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
Property Insights of 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
The XLogP value of 3.77644 indicates that 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile has 1 hydrogen bond donor(s) and 4 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-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile?
The CAS number of 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile is 71945-85-2.
What is the molecular formula of 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile?
The molecular formula of 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile is C21H13FN4.
What is the molecular weight of 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile?
The molecular weight of 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile is 340.11 g/mol.
Where can I buy 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile?
You can request a quote for 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-(4-fluorophenyl)-4-phenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.