Bis(2,6-dimethylphenyl)acetonitrile
TL;DR: Bis(2,6-dimethylphenyl)acetonitrile (CAS 54167-06-5) 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-bis(2,6-dimethylphenyl)acetonitrile
Also Known As: Bis(2,6-dimethylphenyl)acetonitrile, EINECS 259-009-5, 2,2-bis(2,6-dimethylphenyl)acetonitrile, bis-(2,6-Dimethylphenyl)acetonitrile, Benzeneacetonitrile,a-(2,6-dimethylphenyl)-2,6-dimethyl
| Molecular Formula | C18H19N |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 4.57576 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.15175 |
| Heavy Atoms | 19 |
| Complexity | 555.2252 |
Chemical Identifiers
| CAS Number | 54167-06-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)C(C#N)C2=C(C=CC=C2C)C |
Product Overview
Bis(2,6-dimethylphenyl)acetonitrile (CAS 54167-06-5), with molecular formula C18H19N and molecular weight 249.15 g/mol. IUPAC: 2,2-bis(2,6-dimethylphenyl)acetonitrile.
Chemical Property Profile of Bis(2,6-dimethylphenyl)acetonitrile
Property Insights of Bis(2,6-dimethylphenyl)acetonitrile
The XLogP value of 4.57576 indicates that Bis(2,6-dimethylphenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Bis(2,6-dimethylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2,6-dimethylphenyl)acetonitrile 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 Bis(2,6-dimethylphenyl)acetonitrile?
The CAS number of Bis(2,6-dimethylphenyl)acetonitrile is 54167-06-5.
What is the molecular formula of Bis(2,6-dimethylphenyl)acetonitrile?
The molecular formula of Bis(2,6-dimethylphenyl)acetonitrile is C18H19N.
What is the molecular weight of Bis(2,6-dimethylphenyl)acetonitrile?
The molecular weight of Bis(2,6-dimethylphenyl)acetonitrile is 249.15 g/mol.
Where can I buy Bis(2,6-dimethylphenyl)acetonitrile?
You can request a quote for Bis(2,6-dimethylphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,6-dimethylphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,6-dimethylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.