Tris(2,2,2-trinitroethyl)orthoformate
TL;DR: Tris(2,2,2-trinitroethyl)orthoformate (CAS 14548-59-5) is a chemical compound with molecular formula C7H7N9O21 and molecular weight 552.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2,2,2-trinitroethoxy)methoxy]-1,1,1-trinitroethane
Also Known As: TNEOF, Trinitroethylorthoformate, Trinitroethyl orthoformate, Tris(2,2,2-trinitroethyl)orthoformate, Tris(2,2,2-trinitroethoxy)methane
| Molecular Formula | C7H7N9O21 |
|---|---|
| Molecular Weight | 552.98 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 440.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.97565 |
| Heavy Atoms | 37 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 14548-59-5 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NWWHXKXUBVOXEX-UHFFFAOYSA-N |
Product Overview
Tris(2,2,2-trinitroethyl)orthoformate (CAS 14548-59-5), with molecular formula C7H7N9O21 and molecular weight 552.98 g/mol. IUPAC: 2-[bis(2,2,2-trinitroethoxy)methoxy]-1,1,1-trinitroethane.
Chemical Property Profile of Tris(2,2,2-trinitroethyl)orthoformate
Property Insights of Tris(2,2,2-trinitroethyl)orthoformate
The XLogP value of -0.6 indicates that Tris(2,2,2-trinitroethyl)orthoformate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 440.0 Ų indicates high polarity, suggesting Tris(2,2,2-trinitroethyl)orthoformate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tris(2,2,2-trinitroethyl)orthoformate has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris(2,2,2-trinitroethyl)orthoformate?
The CAS number of Tris(2,2,2-trinitroethyl)orthoformate is 14548-59-5.
What is the molecular formula of Tris(2,2,2-trinitroethyl)orthoformate?
The molecular formula of Tris(2,2,2-trinitroethyl)orthoformate is C7H7N9O21.
What is the molecular weight of Tris(2,2,2-trinitroethyl)orthoformate?
The molecular weight of Tris(2,2,2-trinitroethyl)orthoformate is 552.98 g/mol.
Where can I buy Tris(2,2,2-trinitroethyl)orthoformate?
You can request a quote for Tris(2,2,2-trinitroethyl)orthoformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2,2,2-trinitroethyl)orthoformate?
Yes, KEHONG BIO provides custom synthesis services for Tris(2,2,2-trinitroethyl)orthoformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.