2-(2-Chlorophenyl)-2-methylpropanenitrile
TL;DR: 2-(2-Chlorophenyl)-2-methylpropanenitrile (CAS 69849-08-7) is a chemical compound with molecular formula C10H10ClN and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-2-methylpropanenitrile
Also Known As: 2-(2-chlorophenyl)-2-methylpropanenitrile, 2-(2-chlorophenyl)-2-methyl-propanenitrile, J1.259.847E, alpha,alpha-Dimethyl-2-chlorobenzeneacetonitrile, Benzeneacetonitrile, 2-chloro-alpha,alpha-dimethyl-
| Molecular Formula | C10H10ClN |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 3.14118 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05017 |
| Heavy Atoms | 12 |
| Complexity | 322.85562 |
Chemical Identifiers
| CAS Number | 69849-08-7 |
|---|---|
| SMILES | CC(C)(C#N)C1=CC=CC=C1Cl |
Product Overview
2-(2-Chlorophenyl)-2-methylpropanenitrile (CAS 69849-08-7), with molecular formula C10H10ClN and molecular weight 179.05 g/mol. IUPAC: 2-(2-chlorophenyl)-2-methylpropanenitrile.
Chemical Property Profile of 2-(2-Chlorophenyl)-2-methylpropanenitrile
Property Insights of 2-(2-Chlorophenyl)-2-methylpropanenitrile
The XLogP value of 3.14118 indicates that 2-(2-Chlorophenyl)-2-methylpropanenitrile 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-(2-Chlorophenyl)-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorophenyl)-2-methylpropanenitrile 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-(2-Chlorophenyl)-2-methylpropanenitrile?
The CAS number of 2-(2-Chlorophenyl)-2-methylpropanenitrile is 69849-08-7.
What is the molecular formula of 2-(2-Chlorophenyl)-2-methylpropanenitrile?
The molecular formula of 2-(2-Chlorophenyl)-2-methylpropanenitrile is C10H10ClN.
What is the molecular weight of 2-(2-Chlorophenyl)-2-methylpropanenitrile?
The molecular weight of 2-(2-Chlorophenyl)-2-methylpropanenitrile is 179.05 g/mol.
Where can I buy 2-(2-Chlorophenyl)-2-methylpropanenitrile?
You can request a quote for 2-(2-Chlorophenyl)-2-methylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenyl)-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.