3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium
TL;DR: 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium (CAS 748082-89-5) 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-3-carboxylic acid
Also Known As: 3-carboxy-1-methyl-2-(methylsulfanyl)pyridinium, AJ-333/25006098, 1-methyl-2-methylthiopyridine-3-carboxylic acid, 3-Carboxy-1-methyl-2-(methylthio)pyridin-1-ium, 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylic acid
| Molecular Formula | C8H10NO2S+ |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.04323 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 748082-89-5 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1SC)C(=O)O |
| InChIKey | FDNATJWJFBXLEE-UHFFFAOYSA-O |
Product Overview
3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium (CAS 748082-89-5), with molecular formula C8H10NO2S+ and molecular weight 184.04 g/mol. IUPAC: 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylic acid.
Chemical Property Profile of 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium
Property Insights of 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium. Following Lipinski's Rule of Five, 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium has 1 hydrogen bond donor(s) and 3 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 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
The CAS number of 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium is 748082-89-5.
What is the molecular formula of 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
The molecular formula of 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium is C8H10NO2S+.
What is the molecular weight of 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
The molecular weight of 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium is 184.04 g/mol.
Where can I buy 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
You can request a quote for 3-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 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-1-methyl-2-(methylsulfanyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.