4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium
TL;DR: 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium (CAS 766466-75-5) is a chemical compound with molecular formula C8H10NO2S+ and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-methylsulfanylpyridin-1-ium-4-carboxylic acid
Also Known As: 4-carboxy-1-methyl-2-(methylsulfanyl)pyridinium, AJ-333/25022075, 1-methyl-2-methylthiopyridine-4-carboxylic acid, 4-Carboxy-1-methyl-2-(methylthio)pyridin-1-ium, 1-methyl-2-methylsulfanylpyridin-1-ium-4-carboxylic acid
| Molecular Formula | C8H10NO2S+ |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 0.9312 |
| Topological Polar Surface Area | 41.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.04323 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 766466-75-5 |
|---|---|
| SMILES | C[N+]1=C(C=C(C=C1)C(=O)O)SC |
Product Overview
4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium (CAS 766466-75-5), with molecular formula C8H10NO2S+ and molecular weight 184.04 g/mol. IUPAC: 1-methyl-2-methylsulfanylpyridin-1-ium-4-carboxylic acid.
Chemical Property Profile of 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium
Property Insights of 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium
The XLogP value of 0.9312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium. With a topological polar surface area (TPSA) of 41.18 Ų, 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium has 1 hydrogen bond donor(s) and 2 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 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
The CAS number of 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium is 766466-75-5.
What is the molecular formula of 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
The molecular formula of 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium is C8H10NO2S+.
What is the molecular weight of 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
The molecular weight of 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium is 184.04 g/mol.
Where can I buy 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
You can request a quote for 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.