1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile
TL;DR: 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile (CAS 27531-45-9) is a chemical compound with molecular formula C20H18N2 and molecular weight 286.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile
Also Known As: 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile, 3-Pyridinecarbonitrile, 1-benzyl-1,6-dihydro-6-(4-methylphenyl)-, 1-Benzyl-6-(4-methylphenyl)-1,6-dihydro-3-pyridinecarbonitrile #, 1-Benzyl-6-(4-methylphenyl)-1,6-dihydropyridine-3-carbonitrile, RefChem:357344
| Molecular Formula | C20H18N2 |
|---|---|
| Molecular Weight | 286.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.147 |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 27531-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C=CC(=CN2CC3=CC=CC=C3)C#N |
| InChIKey | WWTJLWBDEAYAEE-UHFFFAOYSA-N |
Product Overview
1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile (CAS 27531-45-9), with molecular formula C20H18N2 and molecular weight 286.15 g/mol. IUPAC: 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile.
Chemical Property Profile of 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile
Property Insights of 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile
The XLogP value of 4.3 indicates that 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile 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 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile?
The CAS number of 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile is 27531-45-9.
What is the molecular formula of 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile?
The molecular formula of 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile is C20H18N2.
What is the molecular weight of 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile?
The molecular weight of 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile is 286.15 g/mol.
Where can I buy 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile?
You can request a quote for 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-2-(4-methylphenyl)-2H-pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.