(beta-(2-Pyridyl)ethyl)isoquinoline
TL;DR: (beta-(2-Pyridyl)ethyl)isoquinoline (CAS 16994-48-2) is a chemical compound with molecular formula C16H14N2 and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-pyridin-2-ylethyl)isoquinoline
Also Known As: BPEIQ, (beta-(2-Pyridyl)ethyl)isoquinoline, 1-(2-pyridin-2-ylethyl)isoquinoline, (2-(2-Pyridinyl)ethyl)isoquinoline, 1-(2-(Pyridin-2-yl)ethyl)isoquinoline
| Molecular Formula | C16H14N2 |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.11569 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 16994-48-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2CCC3=CC=CC=N3 |
| InChIKey | RSBCTUPEIZFAAB-UHFFFAOYSA-N |
Product Overview
(beta-(2-Pyridyl)ethyl)isoquinoline (CAS 16994-48-2), with molecular formula C16H14N2 and molecular weight 234.12 g/mol. IUPAC: 1-(2-pyridin-2-ylethyl)isoquinoline.
Chemical Property Profile of (beta-(2-Pyridyl)ethyl)isoquinoline
Property Insights of (beta-(2-Pyridyl)ethyl)isoquinoline
The XLogP value of 3.3 indicates that (beta-(2-Pyridyl)ethyl)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, (beta-(2-Pyridyl)ethyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (beta-(2-Pyridyl)ethyl)isoquinoline 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 (beta-(2-Pyridyl)ethyl)isoquinoline?
The CAS number of (beta-(2-Pyridyl)ethyl)isoquinoline is 16994-48-2.
What is the molecular formula of (beta-(2-Pyridyl)ethyl)isoquinoline?
The molecular formula of (beta-(2-Pyridyl)ethyl)isoquinoline is C16H14N2.
What is the molecular weight of (beta-(2-Pyridyl)ethyl)isoquinoline?
The molecular weight of (beta-(2-Pyridyl)ethyl)isoquinoline is 234.12 g/mol.
Where can I buy (beta-(2-Pyridyl)ethyl)isoquinoline?
You can request a quote for (beta-(2-Pyridyl)ethyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (beta-(2-Pyridyl)ethyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for (beta-(2-Pyridyl)ethyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.