2-Nitrocyclohexanone
TL;DR: 2-Nitrocyclohexanone (CAS 4883-67-4) is a chemical compound with molecular formula C6H9NO3 and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrocyclohexan-1-one
Also Known As: 2-Nitrocyclohexanone, 2-nitrocyclohexan-1-one, Cyclohexanone, 2-nitro-, nitrocyclohexanone, 2-nitro-cyclohexanone
| Molecular Formula | C6H9NO3 |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 4883-67-4 |
|---|---|
| SMILES | C1CCC(=O)C(C1)[N+](=O)[O-] |
| InChIKey | SZNILIWUUKKNPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrocyclohexanone (CAS 4883-67-4), with molecular formula C6H9NO3 and molecular weight 143.06 g/mol. IUPAC: 2-nitrocyclohexan-1-one.
Chemical Property Profile of 2-Nitrocyclohexanone
Property Insights of 2-Nitrocyclohexanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrocyclohexanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrocyclohexanone. Following Lipinski's Rule of Five, 2-Nitrocyclohexanone 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-Nitrocyclohexanone?
The CAS number of 2-Nitrocyclohexanone is 4883-67-4.
What is the molecular formula of 2-Nitrocyclohexanone?
The molecular formula of 2-Nitrocyclohexanone is C6H9NO3.
What is the molecular weight of 2-Nitrocyclohexanone?
The molecular weight of 2-Nitrocyclohexanone is 143.06 g/mol.
Where can I buy 2-Nitrocyclohexanone?
You can request a quote for 2-Nitrocyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrocyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrocyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.