1-Benzylquinolinium
TL;DR: 1-Benzylquinolinium (CAS 27926-80-3) is a chemical compound with molecular formula C16H14N+ and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylquinolin-1-ium
Also Known As: 1-benzylquinolinium, benzylquinolinium, n-benzyl quinolium, 1-benzylquinolin-1-ium, Quinolinium, 1-benzyl-
| Molecular Formula | C16H14N+ |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.11263 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 27926-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32 |
| InChIKey | VQGBPCIONNQYIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzylquinolinium (CAS 27926-80-3), with molecular formula C16H14N+ and molecular weight 220.11 g/mol. IUPAC: 1-benzylquinolin-1-ium.
Chemical Property Profile of 1-Benzylquinolinium
Property Insights of 1-Benzylquinolinium
The XLogP value of 3.9 indicates that 1-Benzylquinolinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, 1-Benzylquinolinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylquinolinium has 0 hydrogen bond donor(s) and 0 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-Benzylquinolinium?
The CAS number of 1-Benzylquinolinium is 27926-80-3.
What is the molecular formula of 1-Benzylquinolinium?
The molecular formula of 1-Benzylquinolinium is C16H14N+.
What is the molecular weight of 1-Benzylquinolinium?
The molecular weight of 1-Benzylquinolinium is 220.11 g/mol.
Where can I buy 1-Benzylquinolinium?
You can request a quote for 1-Benzylquinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylquinolinium?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.