alpha-Butyl-alpha-phenylbenzeneacetonitrile
TL;DR: alpha-Butyl-alpha-phenylbenzeneacetonitrile (CAS 5558-94-1) is a chemical compound with molecular formula C18H19N and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diphenylhexanenitrile
Also Known As: 2,2-diphenylhexanenitrile, alpha-Butyl-alpha-phenylbenzeneacetonitrile, I+/--Butyl-I+/--phenylbenzeneacetonitrile, J3.537.451E, 662-867-7
| Molecular Formula | C18H19N |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 4.68648 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.15175 |
| Heavy Atoms | 19 |
| Complexity | 497.4079 |
Chemical Identifiers
| CAS Number | 5558-94-1 |
|---|---|
| SMILES | CCCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
alpha-Butyl-alpha-phenylbenzeneacetonitrile (CAS 5558-94-1), with molecular formula C18H19N and molecular weight 249.15 g/mol. IUPAC: 2,2-diphenylhexanenitrile.
Chemical Property Profile of alpha-Butyl-alpha-phenylbenzeneacetonitrile
Property Insights of alpha-Butyl-alpha-phenylbenzeneacetonitrile
The XLogP value of 4.68648 indicates that alpha-Butyl-alpha-phenylbenzeneacetonitrile 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-Butyl-alpha-phenylbenzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Butyl-alpha-phenylbenzeneacetonitrile 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-Butyl-alpha-phenylbenzeneacetonitrile?
The CAS number of alpha-Butyl-alpha-phenylbenzeneacetonitrile is 5558-94-1.
What is the molecular formula of alpha-Butyl-alpha-phenylbenzeneacetonitrile?
The molecular formula of alpha-Butyl-alpha-phenylbenzeneacetonitrile is C18H19N.
What is the molecular weight of alpha-Butyl-alpha-phenylbenzeneacetonitrile?
The molecular weight of alpha-Butyl-alpha-phenylbenzeneacetonitrile is 249.15 g/mol.
Where can I buy alpha-Butyl-alpha-phenylbenzeneacetonitrile?
You can request a quote for alpha-Butyl-alpha-phenylbenzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Butyl-alpha-phenylbenzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-Butyl-alpha-phenylbenzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.