4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate
TL;DR: 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate (CAS 320424-46-2) is a chemical compound with molecular formula C20H15F3N2O2 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butyl-2,6-dicyanophenyl) 4-(trifluoromethyl)benzoate
Also Known As: Bionet1_003495, (4-tert-butyl-2,6-dicyanophenyl) 4-(trifluoromethyl)benzoate, 12N-960, 4-(tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate, 4-tert-butyl-2,6-dicyanophenyl 4-(trifluoromethyl)benzoate
| Molecular Formula | C20H15F3N2O2 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 4.96546 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.10855 |
| Heavy Atoms | 27 |
| Complexity | 922.1774 |
Chemical Identifiers
| CAS Number | 320424-46-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C#N)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C#N |
Product Overview
4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate (CAS 320424-46-2), with molecular formula C20H15F3N2O2 and molecular weight 372.11 g/mol. IUPAC: (4-tert-butyl-2,6-dicyanophenyl) 4-(trifluoromethyl)benzoate.
Chemical Property Profile of 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate
Property Insights of 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate
The XLogP value of 4.96546 indicates that 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate. Following Lipinski's Rule of Five, 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate has 0 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 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate?
The CAS number of 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate is 320424-46-2.
What is the molecular formula of 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate is C20H15F3N2O2.
What is the molecular weight of 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate is 372.11 g/mol.
Where can I buy 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butyl)-2,6-dicyanophenyl 4-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.