2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
TL;DR: 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone (CAS 824418-20-4) is a chemical compound with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-nitro-2-pyridinyl)sulfanyl]-1-piperidin-1-ylethanone
Also Known As: 2-(5-nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone, 2-((5-nitropyridin-2-yl)thio)-1-(piperidin-1-yl)ethanone, 2-(5-nitropyridin-2-yl)sulfanyl-1-(1-piperidyl)ethanone, 2-[(5-nitropyridin-2-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
| Molecular Formula | C12H15N3O3S |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.0944 |
| Topological Polar Surface Area | 76.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0834 |
| Heavy Atoms | 19 |
| Complexity | 457.79233 |
Chemical Identifiers
| CAS Number | 824418-20-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone (CAS 824418-20-4), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: 2-[(5-nitro-2-pyridinyl)sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
Property Insights of 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
The XLogP value of 2.0944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone. The TPSA of 76.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone. Following Lipinski's Rule of Five, 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone 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 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The CAS number of 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone is 824418-20-4.
What is the molecular formula of 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The molecular formula of 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone is C12H15N3O3S.
What is the molecular weight of 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The molecular weight of 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone is 281.08 g/mol.
Where can I buy 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
You can request a quote for 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Nitropyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.