4-(5-Butylpyridin-2-yl)benzonitrile
TL;DR: 4-(5-Butylpyridin-2-yl)benzonitrile (CAS 99217-28-4) is a chemical compound with molecular formula C16H16N2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-butyl-2-pyridinyl)benzonitrile
Also Known As: 4-(5-butylpyridin-2-yl)benzonitrile, ChemDiv2_000291, 4-(5-butyl-2-pyridinyl)Benzonitrile, 4-(5-Butyl-pyridin-2-yl)-benzonitrile, 4-(5-butyl-2-pyridyl)benzenecarbonitrile
| Molecular Formula | C16H16N2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 3.96288 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.13135 |
| Heavy Atoms | 18 |
| Complexity | 532.8048 |
Chemical Identifiers
| CAS Number | 99217-28-4 |
|---|---|
| SMILES | CCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C#N |
Product Overview
4-(5-Butylpyridin-2-yl)benzonitrile (CAS 99217-28-4), with molecular formula C16H16N2 and molecular weight 236.13 g/mol. IUPAC: 4-(5-butyl-2-pyridinyl)benzonitrile.
Chemical Property Profile of 4-(5-Butylpyridin-2-yl)benzonitrile
Property Insights of 4-(5-Butylpyridin-2-yl)benzonitrile
The XLogP value of 3.96288 indicates that 4-(5-Butylpyridin-2-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 4-(5-Butylpyridin-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Butylpyridin-2-yl)benzonitrile 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 4-(5-Butylpyridin-2-yl)benzonitrile?
The CAS number of 4-(5-Butylpyridin-2-yl)benzonitrile is 99217-28-4.
What is the molecular formula of 4-(5-Butylpyridin-2-yl)benzonitrile?
The molecular formula of 4-(5-Butylpyridin-2-yl)benzonitrile is C16H16N2.
What is the molecular weight of 4-(5-Butylpyridin-2-yl)benzonitrile?
The molecular weight of 4-(5-Butylpyridin-2-yl)benzonitrile is 236.13 g/mol.
Where can I buy 4-(5-Butylpyridin-2-yl)benzonitrile?
You can request a quote for 4-(5-Butylpyridin-2-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Butylpyridin-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Butylpyridin-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.