4-(4-Tert-butylphenoxy)benzonitrile
TL;DR: 4-(4-Tert-butylphenoxy)benzonitrile (CAS 74448-91-2) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenoxy)benzonitrile
Also Known As: 4-(4-tert-butylphenoxy)benzonitrile, 4-[4-(tert-butyl)phenoxy]benzenecarbonitrile, 4-[4-(t-Butyl)phenoxy]benZenecarbonitrile, 4-4-(tert-Butyl)phenoxybenzenecarbonitrile, 12N-076
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 4.64808 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 583.1446 |
Chemical Identifiers
| CAS Number | 74448-91-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N |
Product Overview
4-(4-Tert-butylphenoxy)benzonitrile (CAS 74448-91-2), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 4-(4-tert-butylphenoxy)benzonitrile.
Chemical Property Profile of 4-(4-Tert-butylphenoxy)benzonitrile
Property Insights of 4-(4-Tert-butylphenoxy)benzonitrile
The XLogP value of 4.64808 indicates that 4-(4-Tert-butylphenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 4-(4-Tert-butylphenoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Tert-butylphenoxy)benzonitrile has 0 hydrogen bond donor(s) and 2 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-(4-Tert-butylphenoxy)benzonitrile?
The CAS number of 4-(4-Tert-butylphenoxy)benzonitrile is 74448-91-2.
What is the molecular formula of 4-(4-Tert-butylphenoxy)benzonitrile?
The molecular formula of 4-(4-Tert-butylphenoxy)benzonitrile is C17H17NO.
What is the molecular weight of 4-(4-Tert-butylphenoxy)benzonitrile?
The molecular weight of 4-(4-Tert-butylphenoxy)benzonitrile is 251.13 g/mol.
Where can I buy 4-(4-Tert-butylphenoxy)benzonitrile?
You can request a quote for 4-(4-Tert-butylphenoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Tert-butylphenoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Tert-butylphenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.