alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile
TL;DR: alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile (CAS 65676-22-4) is a chemical compound with molecular formula C17H18BrN3 and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile
Also Known As: Brompheniramine Impurity 2, 2-(4-bromophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile, alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile, 2-(4-bromophenyl)-4-(dimethylamino)-2-(pyridin-2-yl)butanenitrile, A-(4-bromophenyl)-
| Molecular Formula | C17H18BrN3 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.06842 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 65676-22-4 |
|---|---|
| SMILES | CN(C)CCC(C#N)(C1=CC=C(C=C1)Br)C2=CC=CC=N2 |
| InChIKey | UINDKFQISUGHOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile (CAS 65676-22-4), with molecular formula C17H18BrN3 and molecular weight 343.07 g/mol. IUPAC: 2-(4-bromophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile.
Chemical Property Profile of alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile
Property Insights of alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile
The XLogP value of 3.1 indicates that alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile has 0 hydrogen bond donor(s) and 3 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 alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile?
The CAS number of alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile is 65676-22-4.
What is the molecular formula of alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile?
The molecular formula of alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile is C17H18BrN3.
What is the molecular weight of alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile?
The molecular weight of alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile is 343.07 g/mol.
Where can I buy alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile?
You can request a quote for alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(4-Bromophenyl)-alpha-(2-(dimethylamino)ethyl)pyridine-2-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.