4-((4-(Hexyloxy)benzylidene)amino)benzonitrile
TL;DR: 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile (CAS 35280-78-5) 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)methylideneamino]benzonitrile
Also Known As: 4'-Hexyloxybenzylidene-4-cyanoaniline, CPi6OP, 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile, Benzonitrile, 4-[[[4-(hexyloxy)phenyl]methylene]amino]-, p-Hexyloxybenzylidene p-Aminobenzonitrile
| 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 | 35280-78-5 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N |
| InChIKey | YABQOLANVLHEPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((4-(Hexyloxy)benzylidene)amino)benzonitrile (CAS 35280-78-5), with molecular formula C20H22N2O and molecular weight 306.17 g/mol. IUPAC: 4-[(4-hexoxyphenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile
Property Insights of 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile
The XLogP value of 5.2 indicates that 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile 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-((4-(Hexyloxy)benzylidene)amino)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile 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-((4-(Hexyloxy)benzylidene)amino)benzonitrile?
The CAS number of 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile is 35280-78-5.
What is the molecular formula of 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile?
The molecular formula of 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile is C20H22N2O.
What is the molecular weight of 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile?
The molecular weight of 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile is 306.17 g/mol.
Where can I buy 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile?
You can request a quote for 4-((4-(Hexyloxy)benzylidene)amino)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-(Hexyloxy)benzylidene)amino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(Hexyloxy)benzylidene)amino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.