1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone
TL;DR: 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone (CAS 824944-89-0) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperidin-1-yl)-2-[(5-nitro-2-pyridinyl)sulfanyl]ethanone
Also Known As: 1-(4-methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone, 1-(4-methylpiperidin-1-yl)-2-((5-nitropyridin-2-yl)thio)ethanone, 1-(4-methylpiperidin-1-yl)-2-[(5-nitropyridin-2-yl)sulfanyl]ethanone
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.3404 |
| Topological Polar Surface Area | 76.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 484.13968 |
Chemical Identifiers
| CAS Number | 824944-89-0 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone (CAS 824944-89-0), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: 1-(4-methylpiperidin-1-yl)-2-[(5-nitro-2-pyridinyl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone
Property Insights of 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone
The XLogP value of 2.3404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone. The TPSA of 76.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone. Following Lipinski's Rule of Five, 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone has 0 hydrogen bond donor(s) and 5 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 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone?
The CAS number of 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone is 824944-89-0.
What is the molecular formula of 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone?
The molecular formula of 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone is C13H17N3O3S.
What is the molecular weight of 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone?
The molecular weight of 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone is 295.10 g/mol.
Where can I buy 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone?
You can request a quote for 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylpiperidin-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.