2-(Pyridin-1-ium-1-ylmethyl)quinoline
TL;DR: 2-(Pyridin-1-ium-1-ylmethyl)quinoline (CAS 46818-85-3) is a chemical compound with molecular formula C15H13N2+ and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-1-ium-1-ylmethyl)quinoline
Also Known As: 1-(2-Quinolinylmethyl)pyridinium, 2-(pyridin-1-ium-1-ylmethyl)quinoline, Pyridinium, 1-(2-quinolinylmethyl)-, 1-[(quinolin-2-yl)methyl]pyridin-1-ium, J3.494.083E
| Molecular Formula | C15H13N2+ |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 16.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.10788 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 46818-85-3 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C=C2 |
| InChIKey | IWRPAZRZBADOKM-UHFFFAOYSA-N |
Product Overview
2-(Pyridin-1-ium-1-ylmethyl)quinoline (CAS 46818-85-3), with molecular formula C15H13N2+ and molecular weight 221.11 g/mol. IUPAC: 2-(pyridin-1-ium-1-ylmethyl)quinoline.
Chemical Property Profile of 2-(Pyridin-1-ium-1-ylmethyl)quinoline
Property Insights of 2-(Pyridin-1-ium-1-ylmethyl)quinoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyridin-1-ium-1-ylmethyl)quinoline. With a topological polar surface area (TPSA) of 16.8 Ų, 2-(Pyridin-1-ium-1-ylmethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyridin-1-ium-1-ylmethyl)quinoline has 0 hydrogen bond donor(s) and 1 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 2-(Pyridin-1-ium-1-ylmethyl)quinoline?
The CAS number of 2-(Pyridin-1-ium-1-ylmethyl)quinoline is 46818-85-3.
What is the molecular formula of 2-(Pyridin-1-ium-1-ylmethyl)quinoline?
The molecular formula of 2-(Pyridin-1-ium-1-ylmethyl)quinoline is C15H13N2+.
What is the molecular weight of 2-(Pyridin-1-ium-1-ylmethyl)quinoline?
The molecular weight of 2-(Pyridin-1-ium-1-ylmethyl)quinoline is 221.11 g/mol.
Where can I buy 2-(Pyridin-1-ium-1-ylmethyl)quinoline?
You can request a quote for 2-(Pyridin-1-ium-1-ylmethyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyridin-1-ium-1-ylmethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyridin-1-ium-1-ylmethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.