3-(p-tert-Butylphenyl)-2-methylpropiononitrile
TL;DR: 3-(p-tert-Butylphenyl)-2-methylpropiononitrile (CAS 93981-80-7) 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.
3-(4-tert-butylphenyl)-2-methylpropanenitrile
Also Known As: EINECS 301-168-0, 3-(p-tert-Butylphenyl)-2-methylpropiononitrile, 3-(4-tert-butylphenyl)-2-methylpropanenitrile, 4-(1,1-Dimethylethyl)-alpha-methylbenzenepropanenitrile, Benzenepropanenitrile, 4-(1,1-dimethylethyl)-.alpha.-methyl-
| Molecular Formula | C14H19N |
|---|---|
| Molecular Weight | 201.15 g/mol |
| LogP | 3.68628 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.15175 |
| Heavy Atoms | 15 |
| Complexity | 348.41046 |
Chemical Identifiers
| CAS Number | 93981-80-7 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)C(C)(C)C)C#N |
Product Overview
3-(p-tert-Butylphenyl)-2-methylpropiononitrile (CAS 93981-80-7), with molecular formula C14H19N and molecular weight 201.15 g/mol. IUPAC: 3-(4-tert-butylphenyl)-2-methylpropanenitrile.
Chemical Property Profile of 3-(p-tert-Butylphenyl)-2-methylpropiononitrile
Property Insights of 3-(p-tert-Butylphenyl)-2-methylpropiononitrile
The XLogP value of 3.68628 indicates that 3-(p-tert-Butylphenyl)-2-methylpropiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-(p-tert-Butylphenyl)-2-methylpropiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(p-tert-Butylphenyl)-2-methylpropiononitrile 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 3-(p-tert-Butylphenyl)-2-methylpropiononitrile?
The CAS number of 3-(p-tert-Butylphenyl)-2-methylpropiononitrile is 93981-80-7.
What is the molecular formula of 3-(p-tert-Butylphenyl)-2-methylpropiononitrile?
The molecular formula of 3-(p-tert-Butylphenyl)-2-methylpropiononitrile is C14H19N.
What is the molecular weight of 3-(p-tert-Butylphenyl)-2-methylpropiononitrile?
The molecular weight of 3-(p-tert-Butylphenyl)-2-methylpropiononitrile is 201.15 g/mol.
Where can I buy 3-(p-tert-Butylphenyl)-2-methylpropiononitrile?
You can request a quote for 3-(p-tert-Butylphenyl)-2-methylpropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-tert-Butylphenyl)-2-methylpropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-tert-Butylphenyl)-2-methylpropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.