Phenyl fluoroacetate
TL;DR: Phenyl fluoroacetate (CAS 404-15-9) is a chemical compound with molecular formula C8H7FO2 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-fluoroacetate
Also Known As: Phenyl fluoroacetate, phenyl 2-fluoroacetate, 1-Acetoxy-4-fluorobenzene, Fluoroacetic acid phenyl ester, Acetic Acid 4-Fluorophenyl Ester
| Molecular Formula | C8H7FO2 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.04301 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 404-15-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)CF |
| InChIKey | HSLTXXUPJDQIFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl fluoroacetate (CAS 404-15-9), with molecular formula C8H7FO2 and molecular weight 154.04 g/mol. IUPAC: phenyl 2-fluoroacetate.
Chemical Property Profile of Phenyl fluoroacetate
Property Insights of Phenyl fluoroacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl fluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl fluoroacetate has 0 hydrogen bond donor(s) and 3 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 Phenyl fluoroacetate?
The CAS number of Phenyl fluoroacetate is 404-15-9.
What is the molecular formula of Phenyl fluoroacetate?
The molecular formula of Phenyl fluoroacetate is C8H7FO2.
What is the molecular weight of Phenyl fluoroacetate?
The molecular weight of Phenyl fluoroacetate is 154.04 g/mol.
Where can I buy Phenyl fluoroacetate?
You can request a quote for Phenyl fluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl fluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.