Benzonitrile, 4-(5-propyl-2-pyridinyl)-
TL;DR: Benzonitrile, 4-(5-propyl-2-pyridinyl)- (CAS 99217-27-3) 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.
4-(5-propyl-2-pyridinyl)benzonitrile
Also Known As: Maybridge3_005502, 4-(5-propylpyridin-2-yl)benzonitrile, Benzonitrile, 4-(5-propyl-2-pyridinyl)-, 4-(5-propyl-2-pyridyl)benzonitrile, 4-(5-Propyl-pyridin-2-yl)-benzonitrile
| Molecular Formula | C15H14N2 |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.11569 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 99217-27-3 |
|---|---|
| SMILES | CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | HYBZAFSPFHNSAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4-(5-propyl-2-pyridinyl)- (CAS 99217-27-3), with molecular formula C15H14N2 and molecular weight 222.12 g/mol. IUPAC: 4-(5-propyl-2-pyridinyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(5-propyl-2-pyridinyl)-
Property Insights of Benzonitrile, 4-(5-propyl-2-pyridinyl)-
The XLogP value of 3.6 indicates that Benzonitrile, 4-(5-propyl-2-pyridinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, Benzonitrile, 4-(5-propyl-2-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(5-propyl-2-pyridinyl)- 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 Benzonitrile, 4-(5-propyl-2-pyridinyl)-?
The CAS number of Benzonitrile, 4-(5-propyl-2-pyridinyl)- is 99217-27-3.
What is the molecular formula of Benzonitrile, 4-(5-propyl-2-pyridinyl)-?
The molecular formula of Benzonitrile, 4-(5-propyl-2-pyridinyl)- is C15H14N2.
What is the molecular weight of Benzonitrile, 4-(5-propyl-2-pyridinyl)-?
The molecular weight of Benzonitrile, 4-(5-propyl-2-pyridinyl)- is 222.12 g/mol.
Where can I buy Benzonitrile, 4-(5-propyl-2-pyridinyl)-?
You can request a quote for Benzonitrile, 4-(5-propyl-2-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(5-propyl-2-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(5-propyl-2-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.