Diethyl 2-fluoro-3-oxosuccinate
TL;DR: Diethyl 2-fluoro-3-oxosuccinate (CAS 51475-54-8) is a chemical compound with molecular formula C8H11FO5 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-fluoro-3-oxobutanedioate
Also Known As: diethyl 2-fluoro-3-oxosuccinate, diethyl 2-fluoro-3-oxobutanedioate, diethylfluorooxalacetate, diethyl fluoro-oxalacetate, Fluorooxaloacetic acid diethyl ester
| Molecular Formula | C8H11FO5 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.05905 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 51475-54-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C(=O)OCC)F |
| InChIKey | GYHGUBASZJMZAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-fluoro-3-oxosuccinate (CAS 51475-54-8), with molecular formula C8H11FO5 and molecular weight 206.06 g/mol. IUPAC: diethyl 2-fluoro-3-oxobutanedioate.
Chemical Property Profile of Diethyl 2-fluoro-3-oxosuccinate
Property Insights of Diethyl 2-fluoro-3-oxosuccinate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-fluoro-3-oxosuccinate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-fluoro-3-oxosuccinate. Following Lipinski's Rule of Five, Diethyl 2-fluoro-3-oxosuccinate has 0 hydrogen bond donor(s) and 6 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 2-fluoro-3-oxosuccinate?
The CAS number of Diethyl 2-fluoro-3-oxosuccinate is 51475-54-8.
What is the molecular formula of Diethyl 2-fluoro-3-oxosuccinate?
The molecular formula of Diethyl 2-fluoro-3-oxosuccinate is C8H11FO5.
What is the molecular weight of Diethyl 2-fluoro-3-oxosuccinate?
The molecular weight of Diethyl 2-fluoro-3-oxosuccinate is 206.06 g/mol.
Where can I buy Diethyl 2-fluoro-3-oxosuccinate?
You can request a quote for Diethyl 2-fluoro-3-oxosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-fluoro-3-oxosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-fluoro-3-oxosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.