(4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile
TL;DR: (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile (CAS 84803-58-7) is a chemical compound with molecular formula C14H19N and molecular weight 201.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butyl-2,6-dimethylphenyl)acetonitrile
Also Known As: Xylometazoline EP Impurity C, Protopanaxatriol(PPT), 2-(4-tert-butyl-2,6-dimethylphenyl)acetonitrile, (4-tert-Butyl-2,6-dimethyl-phenyl)-acetonitrile, EINECS 284-183-4
| Molecular Formula | C14H19N |
|---|---|
| Molecular Weight | 201.15 g/mol |
| LogP | 3.66702 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.15175 |
| Heavy Atoms | 15 |
| Complexity | 379.32248 |
Chemical Identifiers
| CAS Number | 84803-58-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1CC#N)C)C(C)(C)C |
Product Overview
(4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile (CAS 84803-58-7), with molecular formula C14H19N and molecular weight 201.15 g/mol. IUPAC: 2-(4-tert-butyl-2,6-dimethylphenyl)acetonitrile.
Chemical Property Profile of (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile
Property Insights of (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile
The XLogP value of 3.66702 indicates that (4-(1,1-Dimethylethyl)-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, (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(1,1-Dimethylethyl)-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 (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile?
The CAS number of (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile is 84803-58-7.
What is the molecular formula of (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile?
The molecular formula of (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile is C14H19N.
What is the molecular weight of (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile?
The molecular weight of (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile is 201.15 g/mol.
Where can I buy (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile?
You can request a quote for (4-(1,1-Dimethylethyl)-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 (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-(1,1-Dimethylethyl)-2,6-dimethylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.