4-(2-Cyano-2,2-diphenylethyl)benzonitrile
TL;DR: 4-(2-Cyano-2,2-diphenylethyl)benzonitrile (CAS 565174-29-0) is a chemical compound with molecular formula C22H16N2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyano-2,2-diphenylethyl)benzonitrile
Also Known As: 4-(2-cyano-2,2-diphenylethyl)benzonitrile, 4-Cyano-alpha,alpha-diphenylbenzenepropanenitrile, 4-Cyano-I+/-,I+/--diphenylbenzenepropanenitrile
| Molecular Formula | C22H16N2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 4.61066 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.13135 |
| Heavy Atoms | 24 |
| Complexity | 843.2 |
Chemical Identifiers
| CAS Number | 565174-29-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC2=CC=C(C=C2)C#N)(C#N)C3=CC=CC=C3 |
Product Overview
4-(2-Cyano-2,2-diphenylethyl)benzonitrile (CAS 565174-29-0), with molecular formula C22H16N2 and molecular weight 308.13 g/mol. IUPAC: 4-(2-cyano-2,2-diphenylethyl)benzonitrile.
Chemical Property Profile of 4-(2-Cyano-2,2-diphenylethyl)benzonitrile
Property Insights of 4-(2-Cyano-2,2-diphenylethyl)benzonitrile
The XLogP value of 4.61066 indicates that 4-(2-Cyano-2,2-diphenylethyl)benzonitrile 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-(2-Cyano-2,2-diphenylethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Cyano-2,2-diphenylethyl)benzonitrile 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-(2-Cyano-2,2-diphenylethyl)benzonitrile?
The CAS number of 4-(2-Cyano-2,2-diphenylethyl)benzonitrile is 565174-29-0.
What is the molecular formula of 4-(2-Cyano-2,2-diphenylethyl)benzonitrile?
The molecular formula of 4-(2-Cyano-2,2-diphenylethyl)benzonitrile is C22H16N2.
What is the molecular weight of 4-(2-Cyano-2,2-diphenylethyl)benzonitrile?
The molecular weight of 4-(2-Cyano-2,2-diphenylethyl)benzonitrile is 308.13 g/mol.
Where can I buy 4-(2-Cyano-2,2-diphenylethyl)benzonitrile?
You can request a quote for 4-(2-Cyano-2,2-diphenylethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Cyano-2,2-diphenylethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Cyano-2,2-diphenylethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.