Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester
TL;DR: Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester (CAS 34036-26-5) is a chemical compound with molecular formula C6H4F2N4O12 and molecular weight 361.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-fluoro-2,2-dinitroethyl) oxalate
Also Known As: Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester, bis(2-fluoro-2,2-dinitroethyl) oxalate, Bis(2-fluoro-2,2-dinitroethyl) ethanedioate, RefChem:329620
| Molecular Formula | C6H4F2N4O12 |
|---|---|
| Molecular Weight | 361.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.97937 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 34036-26-5 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=O)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F |
| InChIKey | YHAVPFGVJAYEDH-UHFFFAOYSA-N |
Product Overview
Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester (CAS 34036-26-5), with molecular formula C6H4F2N4O12 and molecular weight 361.98 g/mol. IUPAC: bis(2-fluoro-2,2-dinitroethyl) oxalate.
Chemical Property Profile of Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester
Property Insights of Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester. The TPSA of 236.0 Ų indicates high polarity, suggesting Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester 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 Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester?
The CAS number of Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester is 34036-26-5.
What is the molecular formula of Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester?
The molecular formula of Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester is C6H4F2N4O12.
What is the molecular weight of Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester?
The molecular weight of Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester is 361.98 g/mol.
Where can I buy Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester?
You can request a quote for Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-fluoro-2,2-dinitroethyl)ethanedioic acid ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.