3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol
TL;DR: 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol (CAS 40696-32-0) is a chemical compound with molecular formula C5H9FN2O7 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluoro-2,2-dinitroethoxy)propane-1,2-diol
Also Known As: NCI60_029810, 3-(2-fluoro-2,2-dinitro-ethoxy)propane-1,2-diol, 3-(2-fluoro-2,2-dinitro-ethoxy)-propane-1,2-diol, 3-(2-fluoro-2,2-dinitroethoxy)propane-1,2-diol, 3-(2-Fluoro-2,2-bis(hydroxy(oxido)amino)ethoxy)-1,2-propanediol
| Molecular Formula | C5H9FN2O7 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.03938 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 40696-32-0 |
|---|---|
| SMILES | C(C(COCC([N+](=O)[O-])([N+](=O)[O-])F)O)O |
| InChIKey | YPTBUFOESBNEOF-UHFFFAOYSA-N |
Product Overview
3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol (CAS 40696-32-0), with molecular formula C5H9FN2O7 and molecular weight 228.04 g/mol. IUPAC: 3-(2-fluoro-2,2-dinitroethoxy)propane-1,2-diol.
Chemical Property Profile of 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol
Property Insights of 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol
The XLogP value of -1.1 indicates that 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol has 2 hydrogen bond donor(s) and 8 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-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol?
The CAS number of 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol is 40696-32-0.
What is the molecular formula of 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol?
The molecular formula of 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol is C5H9FN2O7.
What is the molecular weight of 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol?
The molecular weight of 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol is 228.04 g/mol.
Where can I buy 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol?
You can request a quote for 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.