4,4'-Dicyanobibenzyl
TL;DR: 4,4'-Dicyanobibenzyl (CAS 4381-02-6) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-cyanophenyl)ethyl]benzonitrile
Also Known As: 4,4'-DICYANOBIBENZYL, 4,4'-dicyano-bibenzyl, p,p -Dicyanobibenzyl, 4-[2-(4-cyanophenyl)ethyl]benzonitrile, 4,4-DICYANOBIBENZYL
| Molecular Formula | C16H12N2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 3.21516 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10005 |
| Heavy Atoms | 18 |
| Complexity | 538.0306 |
Chemical Identifiers
| CAS Number | 4381-02-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=CC=C(C=C2)C#N)C#N |
Product Overview
4,4'-Dicyanobibenzyl (CAS 4381-02-6), with molecular formula C16H12N2 and molecular weight 232.10 g/mol. IUPAC: 4-[2-(4-cyanophenyl)ethyl]benzonitrile.
Chemical Property Profile of 4,4'-Dicyanobibenzyl
Property Insights of 4,4'-Dicyanobibenzyl
The XLogP value of 3.21516 indicates that 4,4'-Dicyanobibenzyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 4,4'-Dicyanobibenzyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Dicyanobibenzyl has 0 hydrogen bond donor(s) and 2 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'-Dicyanobibenzyl?
The CAS number of 4,4'-Dicyanobibenzyl is 4381-02-6.
What is the molecular formula of 4,4'-Dicyanobibenzyl?
The molecular formula of 4,4'-Dicyanobibenzyl is C16H12N2.
What is the molecular weight of 4,4'-Dicyanobibenzyl?
The molecular weight of 4,4'-Dicyanobibenzyl is 232.10 g/mol.
Where can I buy 4,4'-Dicyanobibenzyl?
You can request a quote for 4,4'-Dicyanobibenzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dicyanobibenzyl?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dicyanobibenzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.