Diethyl fluoromalonate
TL;DR: Diethyl fluoromalonate (CAS 685-88-1) is a chemical compound with molecular formula C7H11FO4 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-fluoropropanedioate
Also Known As: Diethyl fluoromalonate, Diethyl 2-fluoromalonate, diethylfluoromalonate, Fluoromalonic acid diethyl ester, Ethyl fluoromalonate
| Molecular Formula | C7H11FO4 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.06413 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 685-88-1 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)F |
| InChIKey | GOWQBFVDZPZZFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl fluoromalonate (CAS 685-88-1), with molecular formula C7H11FO4 and molecular weight 178.06 g/mol. IUPAC: diethyl 2-fluoropropanedioate.
Chemical Property Profile of Diethyl fluoromalonate
Property Insights of Diethyl fluoromalonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl fluoromalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl fluoromalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl fluoromalonate has 0 hydrogen bond donor(s) and 5 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 fluoromalonate?
The CAS number of Diethyl fluoromalonate is 685-88-1.
What is the molecular formula of Diethyl fluoromalonate?
The molecular formula of Diethyl fluoromalonate is C7H11FO4.
What is the molecular weight of Diethyl fluoromalonate?
The molecular weight of Diethyl fluoromalonate is 178.06 g/mol.
Where can I buy Diethyl fluoromalonate?
You can request a quote for Diethyl fluoromalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl fluoromalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl fluoromalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.