4-Nitrocyclohexanol
TL;DR: 4-Nitrocyclohexanol (CAS 121936-53-6) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitrocyclohexan-1-ol
Also Known As: 4-nitrocyclohexanol, 4-nitrocyclohexan-1-ol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11NO3 |
| Molecular Weight | 145.0739 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.0739 Da |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
| SMILES | C1CC(CCC1[N+](=O)[O-])O |
| InChIKey | ZJTAOPVJQSDQTJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitrocyclohexanol
Property Insights of 4-Nitrocyclohexanol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrocyclohexanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrocyclohexanol. Following Lipinski's Rule of Five, 4-Nitrocyclohexanol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Nitrocyclohexanol?
The CAS number of 4-Nitrocyclohexanol is 121936-53-6.
What is the molecular formula of 4-Nitrocyclohexanol?
The molecular formula of 4-Nitrocyclohexanol is C6H11NO3.
What is the molecular weight of 4-Nitrocyclohexanol?
The molecular weight of 4-Nitrocyclohexanol is 145.0739 g/mol.
Where can I buy 4-Nitrocyclohexanol?
You can request a quote for 4-Nitrocyclohexanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrocyclohexanol?
Yes, CoreyChem provides custom synthesis services for 4-Nitrocyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.