1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile
TL;DR: 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile (CAS 73657-71-3) is a chemical compound with molecular formula C15H18N2 and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-ethyl-3,6-dihydro-2H-pyridine-6-carbonitrile
Also Known As: 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile, 1-benzyl-5-ethyl-3,6-dihydro-2H-pyridine-6-carbonitrile, RefChem:228014
| Molecular Formula | C15H18N2 |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.147 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 73657-71-3 |
|---|---|
| SMILES | CCC1=CCCN(C1C#N)CC2=CC=CC=C2 |
| InChIKey | JBRHLGAXJXVJOQ-UHFFFAOYSA-N |
Product Overview
1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile (CAS 73657-71-3), with molecular formula C15H18N2 and molecular weight 226.15 g/mol. IUPAC: 1-benzyl-5-ethyl-3,6-dihydro-2H-pyridine-6-carbonitrile.
Chemical Property Profile of 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile
Property Insights of 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-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-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile?
The CAS number of 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile is 73657-71-3.
What is the molecular formula of 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile?
The molecular formula of 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile is C15H18N2.
What is the molecular weight of 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile?
The molecular weight of 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile is 226.15 g/mol.
Where can I buy 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile?
You can request a quote for 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-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-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-ethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.