Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
TL;DR: Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate (CAS 31686-94-9) is a chemical compound with molecular formula C12H11FO4 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
Also Known As: Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate, Doxazosinmesylate, ethyl 3-(4-fluorobenzoyl)pyruvate, Ethyl 4-(4-fluorophenyl)-24-dioxobutanoate, Ethyl 4-[4-fluorophenyl]-2,4-dioxobutyrate
| Molecular Formula | C12H11FO4 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.06413 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 31686-94-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)F |
| InChIKey | LVLZSYCLOPEBSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate (CAS 31686-94-9), with molecular formula C12H11FO4 and molecular weight 238.06 g/mol. IUPAC: ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate.
Chemical Property Profile of Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
Property Insights of Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate 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 Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate?
The CAS number of Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate is 31686-94-9.
What is the molecular formula of Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate?
The molecular formula of Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate is C12H11FO4.
What is the molecular weight of Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate?
The molecular weight of Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate is 238.06 g/mol.
Where can I buy Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate?
You can request a quote for Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.