2-Ethyl-1-nitrohexane
TL;DR: 2-Ethyl-1-nitrohexane (CAS 39203-23-1) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(nitromethyl)heptane
Also Known As: 2-Ethyl-1-nitrohexane, 3-(nitromethyl)heptane, 3-nitromethyl-heptane, 2-Aethyl-1-nitro-hexan, Hexane, 2-ethyl-1-nitro-
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 39203-23-1 |
|---|---|
| SMILES | CCCCC(CC)C[N+](=O)[O-] |
| InChIKey | JQPIBZAWGNCLKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1-nitrohexane (CAS 39203-23-1), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: 3-(nitromethyl)heptane.
Chemical Property Profile of 2-Ethyl-1-nitrohexane
Property Insights of 2-Ethyl-1-nitrohexane
The XLogP value of 3.2 indicates that 2-Ethyl-1-nitrohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Ethyl-1-nitrohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1-nitrohexane 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 2-Ethyl-1-nitrohexane?
The CAS number of 2-Ethyl-1-nitrohexane is 39203-23-1.
What is the molecular formula of 2-Ethyl-1-nitrohexane?
The molecular formula of 2-Ethyl-1-nitrohexane is C8H17NO2.
What is the molecular weight of 2-Ethyl-1-nitrohexane?
The molecular weight of 2-Ethyl-1-nitrohexane is 159.13 g/mol.
Where can I buy 2-Ethyl-1-nitrohexane?
You can request a quote for 2-Ethyl-1-nitrohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1-nitrohexane?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1-nitrohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.