2-Phenyl-4-(pyridin-4-yl)butanenitrile
TL;DR: 2-Phenyl-4-(pyridin-4-yl)butanenitrile (CAS 6312-30-7) is a chemical compound with molecular formula C15H14N2 and molecular weight 222.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4-pyridin-4-ylbutanenitrile
Also Known As: 2-phenyl-4-(pyridin-4-yl)butanenitrile, 2-phenyl-4-pyridin-4-ylbutanenitrile, 2-phenyl-4-[4]pyridyl-butyronitrile, 2-phenyl-4-pyridin-4-yl-butanenitrile, RefChem:265268
| Molecular Formula | C15H14N2 |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.11569 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 6312-30-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCC2=CC=NC=C2)C#N |
| InChIKey | GIUOYPFJKRTFLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-4-(pyridin-4-yl)butanenitrile (CAS 6312-30-7), with molecular formula C15H14N2 and molecular weight 222.12 g/mol. IUPAC: 2-phenyl-4-pyridin-4-ylbutanenitrile.
Chemical Property Profile of 2-Phenyl-4-(pyridin-4-yl)butanenitrile
Property Insights of 2-Phenyl-4-(pyridin-4-yl)butanenitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4-(pyridin-4-yl)butanenitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-Phenyl-4-(pyridin-4-yl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4-(pyridin-4-yl)butanenitrile 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-Phenyl-4-(pyridin-4-yl)butanenitrile?
The CAS number of 2-Phenyl-4-(pyridin-4-yl)butanenitrile is 6312-30-7.
What is the molecular formula of 2-Phenyl-4-(pyridin-4-yl)butanenitrile?
The molecular formula of 2-Phenyl-4-(pyridin-4-yl)butanenitrile is C15H14N2.
What is the molecular weight of 2-Phenyl-4-(pyridin-4-yl)butanenitrile?
The molecular weight of 2-Phenyl-4-(pyridin-4-yl)butanenitrile is 222.12 g/mol.
Where can I buy 2-Phenyl-4-(pyridin-4-yl)butanenitrile?
You can request a quote for 2-Phenyl-4-(pyridin-4-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4-(pyridin-4-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4-(pyridin-4-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.