4'-Cyanobenzylidene-4-hexyloxyaniline
TL;DR: 4'-Cyanobenzylidene-4-hexyloxyaniline (CAS 54842-58-9) is a chemical compound with molecular formula C20H22N2O and molecular weight 306.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-hexoxyphenyl)iminomethyl]benzonitrile
Also Known As: p-(p-Hexyloxyphenyliminomethyl)benzonitrile, 4'-Cyanobenzylidene-4-hexyloxyaniline, 4-[(4-hexoxyphenyl)iminomethyl]benzonitrile, (5-Methoxypyridin-2-yl)methanol, 4'-cyanobenzylidene-4-n-hexyloxyaniline
| Molecular Formula | C20H22N2O |
|---|---|
| Molecular Weight | 306.17 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.17322 |
| Heavy Atoms | 23 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 54842-58-9 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N |
| InChIKey | CDYNAVAHDOMZAZ-UHFFFAOYSA-N |
Product Overview
4'-Cyanobenzylidene-4-hexyloxyaniline (CAS 54842-58-9), with molecular formula C20H22N2O and molecular weight 306.17 g/mol. IUPAC: 4-[(4-hexoxyphenyl)iminomethyl]benzonitrile.
Chemical Property Profile of 4'-Cyanobenzylidene-4-hexyloxyaniline
Property Insights of 4'-Cyanobenzylidene-4-hexyloxyaniline
The XLogP value of 5.2 indicates that 4'-Cyanobenzylidene-4-hexyloxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.4 Ų, 4'-Cyanobenzylidene-4-hexyloxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Cyanobenzylidene-4-hexyloxyaniline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Cyanobenzylidene-4-hexyloxyaniline?
The CAS number of 4'-Cyanobenzylidene-4-hexyloxyaniline is 54842-58-9.
What is the molecular formula of 4'-Cyanobenzylidene-4-hexyloxyaniline?
The molecular formula of 4'-Cyanobenzylidene-4-hexyloxyaniline is C20H22N2O.
What is the molecular weight of 4'-Cyanobenzylidene-4-hexyloxyaniline?
The molecular weight of 4'-Cyanobenzylidene-4-hexyloxyaniline is 306.17 g/mol.
Where can I buy 4'-Cyanobenzylidene-4-hexyloxyaniline?
You can request a quote for 4'-Cyanobenzylidene-4-hexyloxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Cyanobenzylidene-4-hexyloxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 4'-Cyanobenzylidene-4-hexyloxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.