Diethyl hexafluoroglutarate
TL;DR: Diethyl hexafluoroglutarate (CAS 424-40-8) is a chemical compound with molecular formula C9H10F6O4 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2,3,3,4,4-hexafluoropentanedioate
Also Known As: Diethyl hexafluoroglutarate, Diethyl perfluoroglutarate, Diethyl 2,2,3,3,4,4-hexafluoropentanedioate, Diethyl hexafluoropentanedioate, DIETHYLHEXAFLUOROGLUTARATE
| Molecular Formula | C9H10F6O4 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.04834 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 424-40-8 |
|---|---|
| SMILES | CCOC(=O)C(C(C(C(=O)OCC)(F)F)(F)F)(F)F |
| InChIKey | MSDPXVBLFJODJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl hexafluoroglutarate (CAS 424-40-8), with molecular formula C9H10F6O4 and molecular weight 296.05 g/mol. IUPAC: diethyl 2,2,3,3,4,4-hexafluoropentanedioate.
Chemical Property Profile of Diethyl hexafluoroglutarate
Property Insights of Diethyl hexafluoroglutarate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl hexafluoroglutarate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl hexafluoroglutarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl hexafluoroglutarate has 0 hydrogen bond donor(s) and 10 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 Diethyl hexafluoroglutarate?
The CAS number of Diethyl hexafluoroglutarate is 424-40-8.
What is the molecular formula of Diethyl hexafluoroglutarate?
The molecular formula of Diethyl hexafluoroglutarate is C9H10F6O4.
What is the molecular weight of Diethyl hexafluoroglutarate?
The molecular weight of Diethyl hexafluoroglutarate is 296.05 g/mol.
Where can I buy Diethyl hexafluoroglutarate?
You can request a quote for Diethyl hexafluoroglutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hexafluoroglutarate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hexafluoroglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.