Methyl 4-fluorobenzoylacetate
TL;DR: Methyl 4-fluorobenzoylacetate (CAS 6322-79-8) is a chemical compound with molecular formula C10H9FO3 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-fluorophenyl)-3-oxopropanoate
Also Known As: Methyl 4-fluorobenzoylacetate, Methyl 3-(4-fluorophenyl)-3-oxopropanoate, FCCP, Methyl p-fluorobenzoylacetate, Methyl p-fluorobenzoyl acetate
| Molecular Formula | C10H9FO3 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.05357 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 6322-79-8 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)F |
| InChIKey | HGLVYXXPRSNKQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-fluorobenzoylacetate (CAS 6322-79-8), with molecular formula C10H9FO3 and molecular weight 196.05 g/mol. IUPAC: methyl 3-(4-fluorophenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 4-fluorobenzoylacetate
Property Insights of Methyl 4-fluorobenzoylacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-fluorobenzoylacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-fluorobenzoylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-fluorobenzoylacetate has 0 hydrogen bond donor(s) and 4 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 Methyl 4-fluorobenzoylacetate?
The CAS number of Methyl 4-fluorobenzoylacetate is 6322-79-8.
What is the molecular formula of Methyl 4-fluorobenzoylacetate?
The molecular formula of Methyl 4-fluorobenzoylacetate is C10H9FO3.
What is the molecular weight of Methyl 4-fluorobenzoylacetate?
The molecular weight of Methyl 4-fluorobenzoylacetate is 196.05 g/mol.
Where can I buy Methyl 4-fluorobenzoylacetate?
You can request a quote for Methyl 4-fluorobenzoylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-fluorobenzoylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-fluorobenzoylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.