2-Benzylisoquinolinium
TL;DR: 2-Benzylisoquinolinium (CAS 38602-73-2) 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.
2-benzylisoquinolin-2-ium
Also Known As: 2-benzylisoquinolinium, 2-benzylisoquinolin-2-ium, 2-benzylisoquinoline, N-Benzylisoquinolinium, 2-(Phenylmethyl)isoquinolinium
| Molecular Formula | C16H14N+ |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.0 |
| 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 | 38602-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2 |
| InChIKey | SKWVBQXMMPBKGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylisoquinolinium (CAS 38602-73-2), with molecular formula C16H14N+ and molecular weight 220.11 g/mol. IUPAC: 2-benzylisoquinolin-2-ium.
Chemical Property Profile of 2-Benzylisoquinolinium
Property Insights of 2-Benzylisoquinolinium
The XLogP value of 3.0 indicates that 2-Benzylisoquinolinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, 2-Benzylisoquinolinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylisoquinolinium 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 2-Benzylisoquinolinium?
The CAS number of 2-Benzylisoquinolinium is 38602-73-2.
What is the molecular formula of 2-Benzylisoquinolinium?
The molecular formula of 2-Benzylisoquinolinium is C16H14N+.
What is the molecular weight of 2-Benzylisoquinolinium?
The molecular weight of 2-Benzylisoquinolinium is 220.11 g/mol.
Where can I buy 2-Benzylisoquinolinium?
You can request a quote for 2-Benzylisoquinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylisoquinolinium?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylisoquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.