2-(4-(Tert-pentyl)phenyl)acetonitrile
TL;DR: 2-(4-(Tert-pentyl)phenyl)acetonitrile (CAS 200725-68-4) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylbutan-2-yl)phenyl]acetonitrile
Also Known As: 2-(4-(Tert-pentyl)phenyl)acetonitrile, 2-[4-(2-methylbutan-2-yl)phenyl]acetonitrile, 2-[4-(1,1-dimethylpropyl)phenyl]acetonitrile
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 3.44028 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 327.24835 |
Chemical Identifiers
| CAS Number | 200725-68-4 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)CC#N |
Product Overview
2-(4-(Tert-pentyl)phenyl)acetonitrile (CAS 200725-68-4), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 2-[4-(2-methylbutan-2-yl)phenyl]acetonitrile.
Chemical Property Profile of 2-(4-(Tert-pentyl)phenyl)acetonitrile
Property Insights of 2-(4-(Tert-pentyl)phenyl)acetonitrile
The XLogP value of 3.44028 indicates that 2-(4-(Tert-pentyl)phenyl)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, 2-(4-(Tert-pentyl)phenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(Tert-pentyl)phenyl)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 2-(4-(Tert-pentyl)phenyl)acetonitrile?
The CAS number of 2-(4-(Tert-pentyl)phenyl)acetonitrile is 200725-68-4.
What is the molecular formula of 2-(4-(Tert-pentyl)phenyl)acetonitrile?
The molecular formula of 2-(4-(Tert-pentyl)phenyl)acetonitrile is C13H17N.
What is the molecular weight of 2-(4-(Tert-pentyl)phenyl)acetonitrile?
The molecular weight of 2-(4-(Tert-pentyl)phenyl)acetonitrile is 187.14 g/mol.
Where can I buy 2-(4-(Tert-pentyl)phenyl)acetonitrile?
You can request a quote for 2-(4-(Tert-pentyl)phenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(Tert-pentyl)phenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Tert-pentyl)phenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.