![2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone structure](/static/products/5947/59471-20-4.webp)
2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone
TL;DR: 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone (CAS 59471-20-4) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-nitro-2-pyridinyl)sulfanyl]cyclohexan-1-one
Also Known As: 2-[(5-nitropyridin-2-yl)sulfanyl]cyclohexanone, 2-(5-nitropyridin-2-yl)sulfanylcyclohexan-1-one, 2-(5-Nitro-pyridyl-(2)-mercapto)-cyclohexanon, 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexan-1-one
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 59471-20-4 |
|---|---|
| SMILES | C1CCC(=O)C(C1)SC2=NC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NEZSZHRYYCAZAN-UHFFFAOYSA-N |
Product Overview
2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone (CAS 59471-20-4), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: 2-[(5-nitro-2-pyridinyl)sulfanyl]cyclohexan-1-one.
Chemical Property Profile of 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone
Property Insights of 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone. Following Lipinski's Rule of Five, 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone 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]cyclohexanone?
The CAS number of 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone is 59471-20-4.
What is the molecular formula of 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone?
The molecular formula of 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone is C11H12N2O3S.
What is the molecular weight of 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone?
The molecular weight of 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone is 252.06 g/mol.
Where can I buy 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone?
You can request a quote for 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone 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]cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Nitropyridin-2-yl)sulfanyl]cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.