4-(4-Tert-butyl-phenoxy)-phthalonitrile
TL;DR: 4-(4-Tert-butyl-phenoxy)-phthalonitrile (CAS 125023-51-0) is a chemical compound with molecular formula C18H16N2O and molecular weight 276.12625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-tert-butylphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-(4-t-butyl-phenoxy)-phthalonitrile, 4-(4-tert-Butylphenoxy)phthalonitrile, 4-(4-tert-butylphenoxy)benzene-1,2-dicarbonitrile, 4-(4-TERT-BUTYL-PHENOXY)-PHTHALONITRILE, 1,2-Benzenedicarbonitrile, 4-[4-(1,1-dimethylethyl)phenoxy]-
Technical Specifications
| Molecular Formula | C18H16N2O |
| Molecular Weight | 276.12625 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.12625 Da |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N |
| InChIKey | JWUUXSUVPLUBCG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Tert-butyl-phenoxy)-phthalonitrile
Property Insights of 4-(4-Tert-butyl-phenoxy)-phthalonitrile
The XLogP value of 4.6 indicates that 4-(4-Tert-butyl-phenoxy)-phthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 4-(4-Tert-butyl-phenoxy)-phthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Tert-butyl-phenoxy)-phthalonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Tert-butyl-phenoxy)-phthalonitrile?
The CAS number of 4-(4-Tert-butyl-phenoxy)-phthalonitrile is 125023-51-0.
What is the molecular formula of 4-(4-Tert-butyl-phenoxy)-phthalonitrile?
The molecular formula of 4-(4-Tert-butyl-phenoxy)-phthalonitrile is C18H16N2O.
What is the molecular weight of 4-(4-Tert-butyl-phenoxy)-phthalonitrile?
The molecular weight of 4-(4-Tert-butyl-phenoxy)-phthalonitrile is 276.12625 g/mol.
Where can I buy 4-(4-Tert-butyl-phenoxy)-phthalonitrile?
You can request a quote for 4-(4-Tert-butyl-phenoxy)-phthalonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Tert-butyl-phenoxy)-phthalonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(4-Tert-butyl-phenoxy)-phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.