N-Benzyl-3-methylpyridinium
TL;DR: N-Benzyl-3-methylpyridinium (CAS 16183-86-1) is a chemical compound with molecular formula C13H14N+ and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-methylpyridin-1-ium
Also Known As: 1-benzyl-3-methylpyridinium, 1-Benzyl-3-picolinium, N-Benzyl-3-methylpyridinium, TimTec1_000102, 3-Methyl-1-benzylpyridinium
| Molecular Formula | C13H14N+ |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.11263 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 16183-86-1 |
|---|---|
| SMILES | CC1=C[N+](=CC=C1)CC2=CC=CC=C2 |
| InChIKey | KPLXPAJPJHQENL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzyl-3-methylpyridinium (CAS 16183-86-1), with molecular formula C13H14N+ and molecular weight 184.11 g/mol. IUPAC: 1-benzyl-3-methylpyridin-1-ium.
Chemical Property Profile of N-Benzyl-3-methylpyridinium
Property Insights of N-Benzyl-3-methylpyridinium
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-3-methylpyridinium. With a topological polar surface area (TPSA) of 3.9 Ų, N-Benzyl-3-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-3-methylpyridinium 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 N-Benzyl-3-methylpyridinium?
The CAS number of N-Benzyl-3-methylpyridinium is 16183-86-1.
What is the molecular formula of N-Benzyl-3-methylpyridinium?
The molecular formula of N-Benzyl-3-methylpyridinium is C13H14N+.
What is the molecular weight of N-Benzyl-3-methylpyridinium?
The molecular weight of N-Benzyl-3-methylpyridinium is 184.11 g/mol.
Where can I buy N-Benzyl-3-methylpyridinium?
You can request a quote for N-Benzyl-3-methylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-3-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-3-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.