Trinitroethyl formal
TL;DR: Trinitroethyl formal (CAS 6263-74-7) is a chemical compound with molecular formula C5H6N6O14 and molecular weight 373.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trinitro-2-(2,2,2-trinitroethoxymethoxy)ethane
Also Known As: Trinitroethyl formal, TNEF, Bis(trinitroethoxy)methane, Bis(2,2,2-trinitroethoxy)methane, Bis(2,2,2-trinitroethoxy)-methane
| Molecular Formula | C5H6N6O14 |
|---|---|
| Molecular Weight | 373.99 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 293.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.9942 |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 6263-74-7 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCOCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KAQKSOOCNAKEDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trinitroethyl formal (CAS 6263-74-7), with molecular formula C5H6N6O14 and molecular weight 373.99 g/mol. IUPAC: 1,1,1-trinitro-2-(2,2,2-trinitroethoxymethoxy)ethane.
Chemical Property Profile of Trinitroethyl formal
Property Insights of Trinitroethyl formal
The XLogP value of -0.4 indicates that Trinitroethyl formal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 293.0 Ų indicates high polarity, suggesting Trinitroethyl formal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trinitroethyl formal has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trinitroethyl formal?
The CAS number of Trinitroethyl formal is 6263-74-7.
What is the molecular formula of Trinitroethyl formal?
The molecular formula of Trinitroethyl formal is C5H6N6O14.
What is the molecular weight of Trinitroethyl formal?
The molecular weight of Trinitroethyl formal is 373.99 g/mol.
Where can I buy Trinitroethyl formal?
You can request a quote for Trinitroethyl formal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trinitroethyl formal?
Yes, KEHONG BIO provides custom synthesis services for Trinitroethyl formal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.