1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one
TL;DR: 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one (CAS 7404-77-5) is a chemical compound with molecular formula C10H17NO4 and molecular weight 215.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethanone
Also Known As: 1-(2-hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethanone, 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one, 1-(2-hydroxy-2,5-dimethyl-5-nitro-cyclohexyl)-ethanone
| Molecular Formula | C10H17NO4 |
|---|---|
| Molecular Weight | 215.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.11575 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 7404-77-5 |
|---|---|
| SMILES | CC(=O)C1CC(CCC1(C)O)(C)[N+](=O)[O-] |
| InChIKey | AMVMHQODMGEQGU-UHFFFAOYSA-N |
Product Overview
1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one (CAS 7404-77-5), with molecular formula C10H17NO4 and molecular weight 215.12 g/mol. IUPAC: 1-(2-hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethanone.
Chemical Property Profile of 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one
Property Insights of 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one has 1 hydrogen bond donor(s) and 4 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-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one?
The CAS number of 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one is 7404-77-5.
What is the molecular formula of 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one?
The molecular formula of 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one is C10H17NO4.
What is the molecular weight of 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one?
The molecular weight of 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one is 215.12 g/mol.
Where can I buy 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one?
You can request a quote for 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxy-2,5-dimethyl-5-nitrocyclohexyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.