![1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone structure](/static/products/7404/7404-76-4.webp)
1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone
TL;DR: 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone (CAS 7404-76-4) is a chemical compound with molecular formula C20H32N2O8 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone
Also Known As: 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone, 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl, 1,1'-[Ethane-1,2-diylbis(6-hydroxy-6-methyl-3-nitrocyclohexane-3,1-diyl)]di(ethan-1-one)
| Molecular Formula | C20H32N2O8 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.21585 |
| Heavy Atoms | 30 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 7404-76-4 |
|---|---|
| SMILES | CC(=O)C1CC(CCC1(C)O)(CCC2(CCC(C(C2)C(=O)C)(C)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NADCXHBOGQIGCF-UHFFFAOYSA-N |
Product Overview
1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone (CAS 7404-76-4), with molecular formula C20H32N2O8 and molecular weight 428.22 g/mol. IUPAC: 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone.
Chemical Property Profile of 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone
Property Insights of 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone. The TPSA of 166.0 Ų indicates high polarity, suggesting 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone has 2 hydrogen bond donor(s) and 8 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-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone?
The CAS number of 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone is 7404-76-4.
What is the molecular formula of 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone?
The molecular formula of 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone is C20H32N2O8.
What is the molecular weight of 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone?
The molecular weight of 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone is 428.22 g/mol.
Where can I buy 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone?
You can request a quote for 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-[2-(3-acetyl-4-hydroxy-4-methyl-1-nitrocyclohexyl)ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.