p-Octyloxybenzylidene p-cyanoaniline
TL;DR: p-Octyloxybenzylidene p-cyanoaniline (CAS 41682-73-9) is a chemical compound with molecular formula C22H26N2O and molecular weight 334.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-octoxyphenyl)methylideneamino]benzonitrile
Also Known As: p-Octyloxybenzylidene p-cyanoaniline, Epithiochlorhydrin, Carnocin U I49, p-Octyloxybenzylidene-p-cyanoaniline, p-octyloxybenzylidenep-cyanoaniline
| Molecular Formula | C22H26N2O |
|---|---|
| Molecular Weight | 334.20 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 334.2045 |
| Heavy Atoms | 25 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 41682-73-9 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N |
| InChIKey | OUUJTVZTPFJGMR-UHFFFAOYSA-N |
Product Overview
p-Octyloxybenzylidene p-cyanoaniline (CAS 41682-73-9), with molecular formula C22H26N2O and molecular weight 334.20 g/mol. IUPAC: 4-[(4-octoxyphenyl)methylideneamino]benzonitrile.
Chemical Property Profile of p-Octyloxybenzylidene p-cyanoaniline
Property Insights of p-Octyloxybenzylidene p-cyanoaniline
The XLogP value of 6.3 indicates that p-Octyloxybenzylidene p-cyanoaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.4 Ų, p-Octyloxybenzylidene p-cyanoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Octyloxybenzylidene p-cyanoaniline 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 p-Octyloxybenzylidene p-cyanoaniline?
The CAS number of p-Octyloxybenzylidene p-cyanoaniline is 41682-73-9.
What is the molecular formula of p-Octyloxybenzylidene p-cyanoaniline?
The molecular formula of p-Octyloxybenzylidene p-cyanoaniline is C22H26N2O.
What is the molecular weight of p-Octyloxybenzylidene p-cyanoaniline?
The molecular weight of p-Octyloxybenzylidene p-cyanoaniline is 334.20 g/mol.
Where can I buy p-Octyloxybenzylidene p-cyanoaniline?
You can request a quote for p-Octyloxybenzylidene p-cyanoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Octyloxybenzylidene p-cyanoaniline?
Yes, KEHONG BIO provides custom synthesis services for p-Octyloxybenzylidene p-cyanoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.