alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile
TL;DR: alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile (CAS 29097-86-7) is a chemical compound with molecular formula C20H18F4N4 and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-2-[4-(1,1-dicyano-2,2-dimethylpropyl)-2,3,5,6-tetrafluorophenyl]propanedinitrile
Also Known As: alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile, 2,2'-(perfluoro-1,4-phenylene)bis(2-(tert-butyl)malononitrile), 1,4-Benzenediacetonitrile,a1,a4-dicyano-a1,a4-bis(1,1-dimethylethyl)-2,3,5,6-tetrafluoro-, 2-[4-(1,1-dicyano-2,2-dimethyl-propyl)-2,3,5,6-tetrafluoro-phenyl]-2-tert-butyl-propanedinitrile, 2-tert-butyl-2-[4-(1,1-dicyano-2,2-dimethylpropyl)-2,3,5,6-tetrafluorophenyl]propanedinitrile
| Molecular Formula | C20H18F4N4 |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 4.90512 |
| Topological Polar Surface Area | 95.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.14676 |
| Heavy Atoms | 28 |
| Complexity | 848.45874 |
Chemical Identifiers
| CAS Number | 29097-86-7 |
|---|---|
| SMILES | CC(C)(C)C(C#N)(C#N)C1=C(C(=C(C(=C1F)F)C(C#N)(C#N)C(C)(C)C)F)F |
Product Overview
alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile (CAS 29097-86-7), with molecular formula C20H18F4N4 and molecular weight 390.15 g/mol. IUPAC: 2-tert-butyl-2-[4-(1,1-dicyano-2,2-dimethylpropyl)-2,3,5,6-tetrafluorophenyl]propanedinitrile.
Chemical Property Profile of alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile
Property Insights of alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile
The XLogP value of 4.90512 indicates that alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.16 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile. Following Lipinski's Rule of Five, alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile 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 alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile?
The CAS number of alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile is 29097-86-7.
What is the molecular formula of alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile?
The molecular formula of alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile is C20H18F4N4.
What is the molecular weight of alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile?
The molecular weight of alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile is 390.15 g/mol.
Where can I buy alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile?
You can request a quote for alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha1,alpha4-Dicyano-alpha1,alpha4-Bis(1,1-Dimethylethyl)-2,3,5,6-Tetrafluoro-1,4-Benzenediacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.