1-Hexyl-2-nitrocyclohexane
TL;DR: 1-Hexyl-2-nitrocyclohexane (CAS 118252-04-3) is a chemical compound with molecular formula C12H23NO2 and molecular weight 213.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-2-nitrocyclohexane
Also Known As: 1-Hexyl-2-nitrocyclohexane, RefChem:230776
| Molecular Formula | C12H23NO2 |
|---|---|
| Molecular Weight | 213.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.17288 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 118252-04-3 |
|---|---|
| SMILES | CCCCCCC1CCCCC1[N+](=O)[O-] |
| InChIKey | PUCQCSJZQDEHAI-UHFFFAOYSA-N |
Product Overview
1-Hexyl-2-nitrocyclohexane (CAS 118252-04-3), with molecular formula C12H23NO2 and molecular weight 213.17 g/mol. IUPAC: 1-hexyl-2-nitrocyclohexane.
Chemical Property Profile of 1-Hexyl-2-nitrocyclohexane
Property Insights of 1-Hexyl-2-nitrocyclohexane
The XLogP value of 4.8 indicates that 1-Hexyl-2-nitrocyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Hexyl-2-nitrocyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexyl-2-nitrocyclohexane has 0 hydrogen bond donor(s) and 2 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-Hexyl-2-nitrocyclohexane?
The CAS number of 1-Hexyl-2-nitrocyclohexane is 118252-04-3.
What is the molecular formula of 1-Hexyl-2-nitrocyclohexane?
The molecular formula of 1-Hexyl-2-nitrocyclohexane is C12H23NO2.
What is the molecular weight of 1-Hexyl-2-nitrocyclohexane?
The molecular weight of 1-Hexyl-2-nitrocyclohexane is 213.17 g/mol.
Where can I buy 1-Hexyl-2-nitrocyclohexane?
You can request a quote for 1-Hexyl-2-nitrocyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexyl-2-nitrocyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyl-2-nitrocyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.