4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile
TL;DR: 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile (CAS 94291-61-9) is a chemical compound with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(4-cyanophenoxy)hexoxy]benzonitrile
Also Known As: 4,4'-(Hexane-1,6-diylbis(oxy))dibenzonitrile, EINECS 304-886-2, 4,4'-[HEXANE-1,6-DIYLBIS(OXY)]BISBENZONITRILE, 4-[6-(4-cyanophenoxy)hexoxy]benzonitrile, 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile
| Molecular Formula | C20H20N2O2 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 4.44816 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 320.15247 |
| Heavy Atoms | 24 |
| Complexity | 630.9041 |
Chemical Identifiers
| CAS Number | 94291-61-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OCCCCCCOC2=CC=C(C=C2)C#N |
Product Overview
4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile (CAS 94291-61-9), with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol. IUPAC: 4-[6-(4-cyanophenoxy)hexoxy]benzonitrile.
Chemical Property Profile of 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile
Property Insights of 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile
The XLogP value of 4.44816 indicates that 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile. Following Lipinski's Rule of Five, 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile has 0 hydrogen bond donor(s) and 4 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'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile?
The CAS number of 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile is 94291-61-9.
What is the molecular formula of 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile?
The molecular formula of 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile is C20H20N2O2.
What is the molecular weight of 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile?
The molecular weight of 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile is 320.15 g/mol.
Where can I buy 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile?
You can request a quote for 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Hexane-1,6-diylbis(oxy))bisbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.