4-(5-Butylpyrimidin-2-yl)benzonitrile
TL;DR: 4-(5-Butylpyrimidin-2-yl)benzonitrile (CAS 59855-03-7) is a chemical compound with molecular formula C15H15N3 and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-butylpyrimidin-2-yl)benzonitrile
Also Known As: 4-(5-Butyl-2-pyrimidinyl)benzonitrile, 4-(5-butylpyrimidin-2-yl)benzonitrile, 5-n-butyl-2-(4-cyanophenyl)-pyrimidine, 4-(5-Butyl-2-pyrimidinyl)benzonitrile #, 4-(5-Butyl-pyrimidin-2-yl)-benzonitrile
| Molecular Formula | C15H15N3 |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.1266 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 59855-03-7 |
|---|---|
| SMILES | CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#N |
| InChIKey | LGZVXDCVOZLFAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(5-Butylpyrimidin-2-yl)benzonitrile (CAS 59855-03-7), with molecular formula C15H15N3 and molecular weight 237.13 g/mol. IUPAC: 4-(5-butylpyrimidin-2-yl)benzonitrile.
Chemical Property Profile of 4-(5-Butylpyrimidin-2-yl)benzonitrile
Property Insights of 4-(5-Butylpyrimidin-2-yl)benzonitrile
The XLogP value of 3.5 indicates that 4-(5-Butylpyrimidin-2-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, 4-(5-Butylpyrimidin-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Butylpyrimidin-2-yl)benzonitrile 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-(5-Butylpyrimidin-2-yl)benzonitrile?
The CAS number of 4-(5-Butylpyrimidin-2-yl)benzonitrile is 59855-03-7.
What is the molecular formula of 4-(5-Butylpyrimidin-2-yl)benzonitrile?
The molecular formula of 4-(5-Butylpyrimidin-2-yl)benzonitrile is C15H15N3.
What is the molecular weight of 4-(5-Butylpyrimidin-2-yl)benzonitrile?
The molecular weight of 4-(5-Butylpyrimidin-2-yl)benzonitrile is 237.13 g/mol.
Where can I buy 4-(5-Butylpyrimidin-2-yl)benzonitrile?
You can request a quote for 4-(5-Butylpyrimidin-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-Butylpyrimidin-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Butylpyrimidin-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.