4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile
TL;DR: 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile (CAS 10517-66-5) is a chemical compound with molecular formula C21H17NO and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxy-2,2-diphenylethyl)benzonitrile
Also Known As: 4-(2-hydroxy-2,2-diphenylethyl)benzonitrile, 2-amino-, A-methylbenzyl alcohol, Benzonitrile,4-(2-hydroxy-2,2-diphenylethyl)-
| Molecular Formula | C21H17NO |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.131 |
| Heavy Atoms | 23 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 10517-66-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC2=CC=C(C=C2)C#N)(C3=CC=CC=C3)O |
| InChIKey | XEERADXKZMFPDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile (CAS 10517-66-5), with molecular formula C21H17NO and molecular weight 299.13 g/mol. IUPAC: 4-(2-hydroxy-2,2-diphenylethyl)benzonitrile.
Chemical Property Profile of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile
Property Insights of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile
The XLogP value of 4.2 indicates that 4-(2-Hydroxy-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 44.0 Ų, 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile has 1 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-Hydroxy-2,2-diphenylethyl)benzonitrile?
The CAS number of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile is 10517-66-5.
What is the molecular formula of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile?
The molecular formula of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile is C21H17NO.
What is the molecular weight of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile?
The molecular weight of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile is 299.13 g/mol.
Where can I buy 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile?
You can request a quote for 4-(2-Hydroxy-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-Hydroxy-2,2-diphenylethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.