Phenyl 2-fluorobenzoate
TL;DR: Phenyl 2-fluorobenzoate (CAS 363-30-4) is a chemical compound with molecular formula C13H9FO2 and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-fluorobenzoate
Also Known As: phenyl 2-fluorobenzoate, ChemDiv2_000315, 2-Fluorobenzoic acid, phenyl ester, 2-Fluorobenzoic acid,phenyl ester, 2-fluoro-benzoic acid phenyl ester
| Molecular Formula | C13H9FO2 |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.05865 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 363-30-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2F |
| InChIKey | PJKSIUSOWPXUMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 2-fluorobenzoate (CAS 363-30-4), with molecular formula C13H9FO2 and molecular weight 216.06 g/mol. IUPAC: phenyl 2-fluorobenzoate.
Chemical Property Profile of Phenyl 2-fluorobenzoate
Property Insights of Phenyl 2-fluorobenzoate
The XLogP value of 3.2 indicates that Phenyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2-fluorobenzoate 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 2-fluorobenzoate?
The CAS number of Phenyl 2-fluorobenzoate is 363-30-4.
What is the molecular formula of Phenyl 2-fluorobenzoate?
The molecular formula of Phenyl 2-fluorobenzoate is C13H9FO2.
What is the molecular weight of Phenyl 2-fluorobenzoate?
The molecular weight of Phenyl 2-fluorobenzoate is 216.06 g/mol.
Where can I buy Phenyl 2-fluorobenzoate?
You can request a quote for Phenyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.