1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium
TL;DR: 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium (CAS 50566-67-1) is a chemical compound with molecular formula C15H16NO2+ and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid
Also Known As: 1-(2-carboxyphenyl)-2,4,6-trimethylpyridinium, 2-(2,4,6-trimethylpyridyl)benzoic acid, 1-(2-carboxyphenyl)-2,4,6-trimethyl-1, 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid, AO-840/40321155
| Molecular Formula | C15H16NO2+ |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 2.58676 |
| Topological Polar Surface Area | 41.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.1181 |
| Heavy Atoms | 18 |
| Complexity | 594.6358 |
Chemical Identifiers
| CAS Number | 50566-67-1 |
|---|---|
| SMILES | CC1=CC(=[N+](C(=C1)C)C2=CC=CC=C2C(=O)O)C |
Product Overview
1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium (CAS 50566-67-1), with molecular formula C15H16NO2+ and molecular weight 242.12 g/mol. IUPAC: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid.
Chemical Property Profile of 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium
Property Insights of 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium
The XLogP value of 2.58676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium. With a topological polar surface area (TPSA) of 41.18 Ų, 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium has 1 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 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium?
The CAS number of 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium is 50566-67-1.
What is the molecular formula of 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium?
The molecular formula of 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium is C15H16NO2+.
What is the molecular weight of 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium?
The molecular weight of 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium is 242.12 g/mol.
Where can I buy 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium?
You can request a quote for 1-(2-Carboxyphenyl)-2,4,6-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-Carboxyphenyl)-2,4,6-trimethylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Carboxyphenyl)-2,4,6-trimethylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.