Bis(2-fluoro-2,2-dinitroethyl) adipate
TL;DR: Bis(2-fluoro-2,2-dinitroethyl) adipate (CAS 35027-66-8) is a chemical compound with molecular formula C10H12F2N4O12 and molecular weight 418.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-fluoro-2,2-dinitroethyl) hexanedioate
Also Known As: bis adipate, EINECS 252-322-8, Bis(2-fluoro-2,2-dinitroethyl) adipate, bis(2-fluoro-2,2-dinitroethyl) hexanedioate, bis-(2-Fluoro-2,2-dinitroethyl) adipate
| Molecular Formula | C10H12F2N4O12 |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | -0.0134 |
| Topological Polar Surface Area | 225.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 418.042 |
| Heavy Atoms | 28 |
| Complexity | 586.79083 |
Chemical Identifiers
| CAS Number | 35027-66-8 |
|---|---|
| SMILES | C(CCC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)CC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F |
Product Overview
Bis(2-fluoro-2,2-dinitroethyl) adipate (CAS 35027-66-8), with molecular formula C10H12F2N4O12 and molecular weight 418.04 g/mol. IUPAC: bis(2-fluoro-2,2-dinitroethyl) hexanedioate.
Chemical Property Profile of Bis(2-fluoro-2,2-dinitroethyl) adipate
Property Insights of Bis(2-fluoro-2,2-dinitroethyl) adipate
The XLogP value of -0.0134 indicates that Bis(2-fluoro-2,2-dinitroethyl) adipate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.16 Ų indicates high polarity, suggesting Bis(2-fluoro-2,2-dinitroethyl) adipate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2-fluoro-2,2-dinitroethyl) adipate has 0 hydrogen bond donor(s) and 12 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) adipate?
The CAS number of Bis(2-fluoro-2,2-dinitroethyl) adipate is 35027-66-8.
What is the molecular formula of Bis(2-fluoro-2,2-dinitroethyl) adipate?
The molecular formula of Bis(2-fluoro-2,2-dinitroethyl) adipate is C10H12F2N4O12.
What is the molecular weight of Bis(2-fluoro-2,2-dinitroethyl) adipate?
The molecular weight of Bis(2-fluoro-2,2-dinitroethyl) adipate is 418.04 g/mol.
Where can I buy Bis(2-fluoro-2,2-dinitroethyl) adipate?
You can request a quote for Bis(2-fluoro-2,2-dinitroethyl) adipate 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) adipate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-fluoro-2,2-dinitroethyl) adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.