Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-
TL;DR: Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- (CAS 133178-81-1) is a chemical compound with molecular formula C5H7N5O11 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitro-1-(2,2,2-trinitroethoxy)propane
Also Known As: 2,2-dinitro-1-(2,2,2-trinitroethoxy)propane, Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-, 2,2,2-trinitroethyl 2,2-dinitropropyl ether, RefChem:374280
| Molecular Formula | C5H7N5O11 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | -1.2435 |
| Topological Polar Surface Area | 224.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.01422 |
| Heavy Atoms | 21 |
| Complexity | 451.19333 |
Chemical Identifiers
| CAS Number | 133178-81-1 |
|---|---|
| SMILES | CC(COCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- (CAS 133178-81-1), with molecular formula C5H7N5O11 and molecular weight 313.01 g/mol. IUPAC: 2,2-dinitro-1-(2,2,2-trinitroethoxy)propane.
Chemical Property Profile of Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-
Property Insights of Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-
The XLogP value of -1.2435 indicates that Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.93 Ų indicates high polarity, suggesting Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-?
The CAS number of Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- is 133178-81-1.
What is the molecular formula of Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-?
The molecular formula of Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- is C5H7N5O11.
What is the molecular weight of Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-?
The molecular weight of Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- is 313.01 g/mol.
Where can I buy Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-?
You can request a quote for Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.