4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile
TL;DR: 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile (CAS 5005-46-9) is a chemical compound with molecular formula C21H27N3 and molecular weight 321.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanenitrile
Also Known As: Disopyramide EP Impurity A, 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanenitrile, 4-(DIISOPROPYLAMINO)-2-PHENYL-2-(PYRIDIN-2-YL)BUTANENITRILE, 4-(diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile, Disopyramide EP Impurity A (Free Base)
| Molecular Formula | C21H27N3 |
|---|---|
| Molecular Weight | 321.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.2205 |
| Heavy Atoms | 24 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 5005-46-9 |
|---|---|
| SMILES | CC(C)N(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2)C(C)C |
| InChIKey | SSDIPWVFVFRNKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile (CAS 5005-46-9), with molecular formula C21H27N3 and molecular weight 321.22 g/mol. IUPAC: 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanenitrile.
Chemical Property Profile of 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile
Property Insights of 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile
The XLogP value of 4.1 indicates that 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile 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 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile?
The CAS number of 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile is 5005-46-9.
What is the molecular formula of 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile?
The molecular formula of 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile is C21H27N3.
What is the molecular weight of 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile?
The molecular weight of 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile is 321.22 g/mol.
Where can I buy 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile?
You can request a quote for 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diisopropylamino)-2-phenyl-2-(2-pyridyl)butyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.