Methyl 3-methylsulfanylpyridine-2-carboxylate
TL;DR: Methyl 3-methylsulfanylpyridine-2-carboxylate (CAS 61830-34-0) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methylsulfanylpyridine-2-carboxylate
Also Known As: methyl 3-methylsulfanylpyridine-2-carboxylate, 2-Pyridinecarboxylic acid, 3-(methylthio)-, methyl ester, methyl 3-(methylsulfanyl)-2-pyridinecarboxylate, methyl 3-(methylsulfanyl)pyridine-2-carboxylate, AJ-333/09217027
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.5901 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 288.14127 |
Chemical Identifiers
| CAS Number | 61830-34-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC=N1)SC |
Product Overview
Methyl 3-methylsulfanylpyridine-2-carboxylate (CAS 61830-34-0), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: methyl 3-methylsulfanylpyridine-2-carboxylate.
Chemical Property Profile of Methyl 3-methylsulfanylpyridine-2-carboxylate
Property Insights of Methyl 3-methylsulfanylpyridine-2-carboxylate
The XLogP value of 1.5901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methylsulfanylpyridine-2-carboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 3-methylsulfanylpyridine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methylsulfanylpyridine-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 Methyl 3-methylsulfanylpyridine-2-carboxylate?
The CAS number of Methyl 3-methylsulfanylpyridine-2-carboxylate is 61830-34-0.
What is the molecular formula of Methyl 3-methylsulfanylpyridine-2-carboxylate?
The molecular formula of Methyl 3-methylsulfanylpyridine-2-carboxylate is C8H9NO2S.
What is the molecular weight of Methyl 3-methylsulfanylpyridine-2-carboxylate?
The molecular weight of Methyl 3-methylsulfanylpyridine-2-carboxylate is 183.04 g/mol.
Where can I buy Methyl 3-methylsulfanylpyridine-2-carboxylate?
You can request a quote for Methyl 3-methylsulfanylpyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methylsulfanylpyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methylsulfanylpyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.