3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium
TL;DR: 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium (CAS 771426-07-4) 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-4-methylsulfanylpyridin-1-ium-3-carboxylic acid
Also Known As: 3-carboxy-1-methyl-4-(methylsulfanyl)pyridinium, AJ-333/25022023, 1-methyl-4-methylthiopyridine-3-carboxylic acid, 3-Carboxy-1-methyl-4-(methylthio)pyridin-1-ium, 1-methyl-4-methylsulfanylpyridin-1-ium-3-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 | 771426-07-4 |
|---|---|
| SMILES | C[N+]1=CC(=C(C=C1)SC)C(=O)O |
Product Overview
3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium (CAS 771426-07-4), with molecular formula C8H10NO2S+ and molecular weight 184.04 g/mol. IUPAC: 1-methyl-4-methylsulfanylpyridin-1-ium-3-carboxylic acid.
Chemical Property Profile of 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium
Property Insights of 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium
The XLogP value of 0.9312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium. With a topological polar surface area (TPSA) of 41.18 Ų, 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Carboxy-1-methyl-4-(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 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium?
The CAS number of 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium is 771426-07-4.
What is the molecular formula of 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium?
The molecular formula of 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium is C8H10NO2S+.
What is the molecular weight of 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium?
The molecular weight of 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium is 184.04 g/mol.
Where can I buy 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium?
You can request a quote for 3-Carboxy-1-methyl-4-(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-4-(methylsulfanyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-1-methyl-4-(methylsulfanyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.