![2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium structure](/static/products/478/478620-32-5.png)
2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium
TL;DR: 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium (CAS 478620-32-5) is a chemical compound with molecular formula C12H18N2OS and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methylpiperidin-3-yl)methylsulfanyl]-1-oxidopyridin-1-ium
Also Known As: 2-(N-methyl-3-piperidylmethylthio)pyridine-N-oxide, Pyridine, 2-[[(1-methyl-3-piperidinyl)methyl]thio]-, 1-oxide, 2-[(1-methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium, 2-[(1-methylpiperidin-3-yl)methylsulfanyl]-1-oxidopyridin-1-ium
| Molecular Formula | C12H18N2OS |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.11398 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 478620-32-5 |
|---|---|
| SMILES | CN1CCCC(C1)CSC2=CC=CC=[N+]2[O-] |
| InChIKey | WJDHESRJIUHWDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium (CAS 478620-32-5), with molecular formula C12H18N2OS and molecular weight 238.11 g/mol. IUPAC: 2-[(1-methylpiperidin-3-yl)methylsulfanyl]-1-oxidopyridin-1-ium.
Chemical Property Profile of 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium
Property Insights of 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium. With a topological polar surface area (TPSA) of 54.0 Ų, 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium 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 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium?
The CAS number of 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium is 478620-32-5.
What is the molecular formula of 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium?
The molecular formula of 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium is C12H18N2OS.
What is the molecular weight of 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium?
The molecular weight of 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium is 238.11 g/mol.
Where can I buy 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium?
You can request a quote for 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Methyl-3-piperidyl)methylsulfanyl]-1-oxido-pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.