1,2,4-Trimethylpyridinium
TL;DR: 1,2,4-Trimethylpyridinium (CAS 33718-17-1) is a chemical compound with molecular formula C8H12N+ and molecular weight 122.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trimethylpyridin-1-ium
Also Known As: 1,2,4-Trimethylpyridinium, 1,2,4-trimethylpyridin-1-ium, Pyridinium, 1,2,4-trimethyl-, Pyridinium,1,2,4-trimethyl-, RefChem:71557
| Molecular Formula | C8H12N+ |
|---|---|
| Molecular Weight | 122.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.09698 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 33718-17-1 |
|---|---|
| SMILES | CC1=CC(=[N+](C=C1)C)C |
| InChIKey | PIVWQNJJTJZBMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Trimethylpyridinium (CAS 33718-17-1), with molecular formula C8H12N+ and molecular weight 122.10 g/mol. IUPAC: 1,2,4-trimethylpyridin-1-ium.
Chemical Property Profile of 1,2,4-Trimethylpyridinium
Property Insights of 1,2,4-Trimethylpyridinium
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Trimethylpyridinium. With a topological polar surface area (TPSA) of 3.9 Ų, 1,2,4-Trimethylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trimethylpyridinium 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 1,2,4-Trimethylpyridinium?
The CAS number of 1,2,4-Trimethylpyridinium is 33718-17-1.
What is the molecular formula of 1,2,4-Trimethylpyridinium?
The molecular formula of 1,2,4-Trimethylpyridinium is C8H12N+.
What is the molecular weight of 1,2,4-Trimethylpyridinium?
The molecular weight of 1,2,4-Trimethylpyridinium is 122.10 g/mol.
Where can I buy 1,2,4-Trimethylpyridinium?
You can request a quote for 1,2,4-Trimethylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trimethylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trimethylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.