4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile
TL;DR: 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile (CAS 31206-12-9) is a chemical compound with molecular formula C20H12N2O2 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-cyanophenoxy)phenoxy]benzonitrile
Also Known As: 4-[3-(4-cyanophenoxy)phenoxy]benzonitrile, 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile, 4,4 -(m-Phenylenebisoxy)bisbenzonitrile, J2.905.865B, 4,4 -(1,3-Phenylenebisoxy)bisbenzonitrile
| Molecular Formula | C20H12N2O2 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 5.01456 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.08987 |
| Heavy Atoms | 24 |
| Complexity | 842.84296 |
Chemical Identifiers
| CAS Number | 31206-12-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)C#N |
Product Overview
4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile (CAS 31206-12-9), with molecular formula C20H12N2O2 and molecular weight 312.09 g/mol. IUPAC: 4-[3-(4-cyanophenoxy)phenoxy]benzonitrile.
Chemical Property Profile of 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile
Property Insights of 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile
The XLogP value of 5.01456 indicates that 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile 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'-(1,3-Phenylenebis(oxy))dibenzonitrile. Following Lipinski's Rule of Five, 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile has 0 hydrogen bond donor(s) and 4 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'-(1,3-Phenylenebis(oxy))dibenzonitrile?
The CAS number of 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile is 31206-12-9.
What is the molecular formula of 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile?
The molecular formula of 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile is C20H12N2O2.
What is the molecular weight of 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile?
The molecular weight of 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile is 312.09 g/mol.
Where can I buy 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile?
You can request a quote for 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,3-Phenylenebis(oxy))dibenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.