3-(2,2,2-Trinitroethyl)oxolane-2,5-dione
TL;DR: 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione (CAS 4616-50-6) is a chemical compound with molecular formula C6H5N3O9 and molecular weight 263.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2,2-trinitroethyl)oxolane-2,5-dione
Also Known As: 3-(2,2,2-trinitroethyl)dihydrofuran-2,5-dione, 3-(2,2,2-trinitroethyl)oxolane-2,5-dione, (2,2,2-trinitro-ethyl)-succinic acid anhydride, 2,2,2-Trinitroethyl><2,2,2-Trinitroethyl>-bernsteinsaeureanhydrid
| Molecular Formula | C6H5N3O9 |
|---|---|
| Molecular Weight | 263.00 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0026 |
| Heavy Atoms | 18 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 4616-50-6 |
|---|---|
| SMILES | C1C(C(=O)OC1=O)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VHPPSOMJSYXHSN-UHFFFAOYSA-N |
Product Overview
3-(2,2,2-Trinitroethyl)oxolane-2,5-dione (CAS 4616-50-6), with molecular formula C6H5N3O9 and molecular weight 263.00 g/mol. IUPAC: 3-(2,2,2-trinitroethyl)oxolane-2,5-dione.
Chemical Property Profile of 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione
Property Insights of 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione
The XLogP value of -0.3 indicates that 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione has 0 hydrogen bond donor(s) and 9 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 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione?
The CAS number of 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione is 4616-50-6.
What is the molecular formula of 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione?
The molecular formula of 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione is C6H5N3O9.
What is the molecular weight of 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione?
The molecular weight of 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione is 263.00 g/mol.
Where can I buy 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione?
You can request a quote for 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2,2-Trinitroethyl)oxolane-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.