1,1,1-Trinitro-2-ethoxypropane
TL;DR: 1,1,1-Trinitro-2-ethoxypropane (CAS 26459-85-8) is a chemical compound with molecular formula C5H9N3O7 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-1,1,1-trinitropropane
Also Known As: 1,1,1-Trinitro-2-ethoxypropane, 2-ethoxy-1,1,1-trinitropropane, ethyl ether of 1,1,1-trinitro-2-propanol
| Molecular Formula | C5H9N3O7 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04405 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 26459-85-8 |
|---|---|
| SMILES | CCOC(C)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HTKFBMXRRYDJDL-UHFFFAOYSA-N |
Product Overview
1,1,1-Trinitro-2-ethoxypropane (CAS 26459-85-8), with molecular formula C5H9N3O7 and molecular weight 223.04 g/mol. IUPAC: 2-ethoxy-1,1,1-trinitropropane.
Chemical Property Profile of 1,1,1-Trinitro-2-ethoxypropane
Property Insights of 1,1,1-Trinitro-2-ethoxypropane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trinitro-2-ethoxypropane. The TPSA of 147.0 Ų indicates high polarity, suggesting 1,1,1-Trinitro-2-ethoxypropane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1,1-Trinitro-2-ethoxypropane has 0 hydrogen bond donor(s) and 7 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 1,1,1-Trinitro-2-ethoxypropane?
The CAS number of 1,1,1-Trinitro-2-ethoxypropane is 26459-85-8.
What is the molecular formula of 1,1,1-Trinitro-2-ethoxypropane?
The molecular formula of 1,1,1-Trinitro-2-ethoxypropane is C5H9N3O7.
What is the molecular weight of 1,1,1-Trinitro-2-ethoxypropane?
The molecular weight of 1,1,1-Trinitro-2-ethoxypropane is 223.04 g/mol.
Where can I buy 1,1,1-Trinitro-2-ethoxypropane?
You can request a quote for 1,1,1-Trinitro-2-ethoxypropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trinitro-2-ethoxypropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trinitro-2-ethoxypropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.