3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium
TL;DR: 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium (CAS 740752-71-0) is a chemical compound with molecular formula C9H12NO2S+ and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-4-methylsulfanylpyridin-1-ium-3-carboxylate
Also Known As: 3-(methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium, AJ-333/25022031, methyl 1-methyl-4-methylthiopyridine-3-carboxylate, methyl 1-methyl-4-methylsulfanylpyridin-1-ium-3-carboxylate, 3-(Methoxycarbonyl)-1-methyl-4-(methylthio)pyridin-1-ium
| Molecular Formula | C9H12NO2S+ |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 1.0196 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.05887 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 740752-71-0 |
|---|---|
| SMILES | C[N+]1=CC(=C(C=C1)SC)C(=O)OC |
Product Overview
3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium (CAS 740752-71-0), with molecular formula C9H12NO2S+ and molecular weight 198.06 g/mol. IUPAC: methyl 1-methyl-4-methylsulfanylpyridin-1-ium-3-carboxylate.
Chemical Property Profile of 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium
Property Insights of 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium
The XLogP value of 1.0196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium. With a topological polar surface area (TPSA) of 30.18 Ų, 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium has 0 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-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium?
The CAS number of 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium is 740752-71-0.
What is the molecular formula of 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium?
The molecular formula of 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium is C9H12NO2S+.
What is the molecular weight of 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium?
The molecular weight of 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium is 198.06 g/mol.
Where can I buy 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium?
You can request a quote for 3-(Methoxycarbonyl)-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-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)-1-methyl-4-(methylsulfanyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.