Alpha-benzyl-alpha-phenylhydrocinnamonitrile
TL;DR: Alpha-benzyl-alpha-phenylhydrocinnamonitrile (CAS 3333-16-2) is a chemical compound with molecular formula C22H19N and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2,3-diphenylpropanenitrile
Also Known As: 2-benzyl-2,3-diphenylpropanenitrile, dibenzyl phenyl-acetonitrile, 2,3-Diphenyl-2-benzylpropanenitrile, 2-benzyl-2,3-diphenyl-propanenitrile, Alpha-benzyl-alpha-phenylhydrocinnamonitrile
| Molecular Formula | C22H19N |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 4.93338 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.15176 |
| Heavy Atoms | 23 |
| Complexity | 728.96643 |
Chemical Identifiers
| CAS Number | 3333-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C#N)C3=CC=CC=C3 |
Product Overview
Alpha-benzyl-alpha-phenylhydrocinnamonitrile (CAS 3333-16-2), with molecular formula C22H19N and molecular weight 297.15 g/mol. IUPAC: 2-benzyl-2,3-diphenylpropanenitrile.
Chemical Property Profile of Alpha-benzyl-alpha-phenylhydrocinnamonitrile
Property Insights of Alpha-benzyl-alpha-phenylhydrocinnamonitrile
The XLogP value of 4.93338 indicates that Alpha-benzyl-alpha-phenylhydrocinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Alpha-benzyl-alpha-phenylhydrocinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-benzyl-alpha-phenylhydrocinnamonitrile has 0 hydrogen bond donor(s) and 1 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 Alpha-benzyl-alpha-phenylhydrocinnamonitrile?
The CAS number of Alpha-benzyl-alpha-phenylhydrocinnamonitrile is 3333-16-2.
What is the molecular formula of Alpha-benzyl-alpha-phenylhydrocinnamonitrile?
The molecular formula of Alpha-benzyl-alpha-phenylhydrocinnamonitrile is C22H19N.
What is the molecular weight of Alpha-benzyl-alpha-phenylhydrocinnamonitrile?
The molecular weight of Alpha-benzyl-alpha-phenylhydrocinnamonitrile is 297.15 g/mol.
Where can I buy Alpha-benzyl-alpha-phenylhydrocinnamonitrile?
You can request a quote for Alpha-benzyl-alpha-phenylhydrocinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-benzyl-alpha-phenylhydrocinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for Alpha-benzyl-alpha-phenylhydrocinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.