4-Fluorophenyl benzoate
TL;DR: 4-Fluorophenyl benzoate (CAS 27311-88-2) 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.
(4-fluorophenyl) benzoate
Also Known As: 4-fluorophenyl benzoate, (4-fluorophenyl) benzoate, Phenol, 4-fluoro-,1-benzoate, Benzoic acid 4-fluorophenyl ester, Benzoic acid 4-fluoro-phenyl ester
| Molecular Formula | C13H9FO2 |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 3.7 |
| 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 | 228.0 |
Chemical Identifiers
| CAS Number | 27311-88-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)F |
| InChIKey | ORIRFPBZPCIUSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorophenyl benzoate (CAS 27311-88-2), with molecular formula C13H9FO2 and molecular weight 216.06 g/mol. IUPAC: (4-fluorophenyl) benzoate.
Chemical Property Profile of 4-Fluorophenyl benzoate
Property Insights of 4-Fluorophenyl benzoate
The XLogP value of 3.7 indicates that 4-Fluorophenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Fluorophenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl benzoate 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 4-Fluorophenyl benzoate?
The CAS number of 4-Fluorophenyl benzoate is 27311-88-2.
What is the molecular formula of 4-Fluorophenyl benzoate?
The molecular formula of 4-Fluorophenyl benzoate is C13H9FO2.
What is the molecular weight of 4-Fluorophenyl benzoate?
The molecular weight of 4-Fluorophenyl benzoate is 216.06 g/mol.
Where can I buy 4-Fluorophenyl benzoate?
You can request a quote for 4-Fluorophenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.