Diethyl hexafluoroglutarate
TL;DR: Diethyl hexafluoroglutarate (CAS 424-40-8) is a chemical compound with molecular formula C9H10F6O4 and molecular weight 296.04834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10F6O4 |
| Molecular Weight | 296.04834 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.04834 Da |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
| SMILES | CCOC(=O)C(C(C(C(=O)OCC)(F)F)(F)F)(F)F |
| InChIKey | MSDPXVBLFJODJO-UHFFFAOYSA-N |
Product Description
Applications: Diethyl hexafluoroglutarate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diethyl hexafluoroglutarate (CAS 424-40-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Diethyl hexafluoroglutarate (CAS 424-40-8) has the molecular formula C9H10F6O4 and a molecular weight of 296.05 g/mol. It is also known as Diethyl hexafluoroglutarate and Diethyl perfluoroglutarate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 296.04834 g/mol.
What are the applications of Diethyl hexafluoroglutarate?
Diethyl hexafluoroglutarate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diethyl hexafluoroglutarate...
Where can I buy Diethyl hexafluoroglutarate?
You can request a quote for Diethyl hexafluoroglutarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl hexafluoroglutarate?
Yes, CoreyChem provides custom synthesis services for Diethyl hexafluoroglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.