2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile
TL;DR: 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile (CAS 339114-86-2) is a chemical compound with molecular formula C13H8Cl2N2 and molecular weight 262.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile
Also Known As: ML318 Analog, 2-(4-chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile, Chlorphenamine Impurity 27, Chlorphenamine Impurity 39, 2-(4-chlorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile
| Molecular Formula | C13H8Cl2N2 |
|---|---|
| Molecular Weight | 262.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.00644 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 339114-86-2 |
|---|---|
| SMILES | C1=CC(=NC(=C1)Cl)C(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | KFUYTJBERFHHIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile (CAS 339114-86-2), with molecular formula C13H8Cl2N2 and molecular weight 262.01 g/mol. IUPAC: 2-(4-chlorophenyl)-2-(6-chloro-2-pyridinyl)acetonitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile
Property Insights of 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile
The XLogP value of 3.8 indicates that 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 2 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-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile?
The CAS number of 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile is 339114-86-2.
What is the molecular formula of 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile?
The molecular formula of 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile is C13H8Cl2N2.
What is the molecular weight of 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile?
The molecular weight of 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile is 262.01 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile?
You can request a quote for 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)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-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-(6-chloropyridin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.