2,2,4-Triphenylbutanenitrile
TL;DR: 2,2,4-Triphenylbutanenitrile (CAS 3494-20-0) 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.
2,2,4-triphenylbutanenitrile
Also Known As: 2,2,4-triphenylbutanenitrile, Benzenebutanenitrile, a,a-diphenyl-
| Molecular Formula | C22H19N |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.15176 |
| Heavy Atoms | 23 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 3494-20-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | KDKFWZRKCQMAIZ-UHFFFAOYSA-N |
Product Overview
2,2,4-Triphenylbutanenitrile (CAS 3494-20-0), with molecular formula C22H19N and molecular weight 297.15 g/mol. IUPAC: 2,2,4-triphenylbutanenitrile.
Chemical Property Profile of 2,2,4-Triphenylbutanenitrile
Property Insights of 2,2,4-Triphenylbutanenitrile
The XLogP value of 5.4 indicates that 2,2,4-Triphenylbutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2,4-Triphenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Triphenylbutanenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,4-Triphenylbutanenitrile?
The CAS number of 2,2,4-Triphenylbutanenitrile is 3494-20-0.
What is the molecular formula of 2,2,4-Triphenylbutanenitrile?
The molecular formula of 2,2,4-Triphenylbutanenitrile is C22H19N.
What is the molecular weight of 2,2,4-Triphenylbutanenitrile?
The molecular weight of 2,2,4-Triphenylbutanenitrile is 297.15 g/mol.
Where can I buy 2,2,4-Triphenylbutanenitrile?
You can request a quote for 2,2,4-Triphenylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Triphenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Triphenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.