1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane
TL;DR: 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane (CAS 1636-28-8) is a chemical compound with molecular formula C9H16N2O4 and molecular weight 216.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-1-(2-nitropropan-2-yl)cyclohexane
Also Known As: 1-(1-methyl-1-nitroethyl)-1-nitrocyclohexane, 1-nitro-1-(2-nitropropan-2-yl)cyclohexane, J1.632.744A, 1-Nitro-1-(1-nitro-1-methylethyl)cyclohexane, 659-763-9
| Molecular Formula | C9H16N2O4 |
|---|---|
| Molecular Weight | 216.11 g/mol |
| LogP | 2.0213 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.11101 |
| Heavy Atoms | 15 |
| Complexity | 281.83694 |
Chemical Identifiers
| CAS Number | 1636-28-8 |
|---|---|
| SMILES | CC(C)(C1(CCCCC1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane (CAS 1636-28-8), with molecular formula C9H16N2O4 and molecular weight 216.11 g/mol. IUPAC: 1-nitro-1-(2-nitropropan-2-yl)cyclohexane.
Chemical Property Profile of 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane
Property Insights of 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane
The XLogP value of 2.0213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane. Following Lipinski's Rule of Five, 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane has 0 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-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane?
The CAS number of 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane is 1636-28-8.
What is the molecular formula of 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane?
The molecular formula of 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane is C9H16N2O4.
What is the molecular weight of 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane?
The molecular weight of 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane is 216.11 g/mol.
Where can I buy 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane?
You can request a quote for 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methyl-1-nitroethyl)-1-nitrocyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.