Benzyl 4-fluorobenzoate
TL;DR: Benzyl 4-fluorobenzoate (CAS 59986-44-6) is a chemical compound with molecular formula C14H11FO2 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-fluorobenzoate
Also Known As: Benzyl 4-fluorobenzoate, Benzyl-4-fluorobenzoate, Benzyl 4-fluorobenzoate #, 4-Fluorobenzoic acid, benzyl ester, Benzoic acid, 4-fluoro-, phenylmethyl ester
| Molecular Formula | C14H11FO2 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.07431 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 59986-44-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)F |
| InChIKey | CNTWNLQFUTWHID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 4-fluorobenzoate (CAS 59986-44-6), with molecular formula C14H11FO2 and molecular weight 230.07 g/mol. IUPAC: benzyl 4-fluorobenzoate.
Chemical Property Profile of Benzyl 4-fluorobenzoate
Property Insights of Benzyl 4-fluorobenzoate
The XLogP value of 4.1 indicates that Benzyl 4-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, Benzyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-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 Benzyl 4-fluorobenzoate?
The CAS number of Benzyl 4-fluorobenzoate is 59986-44-6.
What is the molecular formula of Benzyl 4-fluorobenzoate?
The molecular formula of Benzyl 4-fluorobenzoate is C14H11FO2.
What is the molecular weight of Benzyl 4-fluorobenzoate?
The molecular weight of Benzyl 4-fluorobenzoate is 230.07 g/mol.
Where can I buy Benzyl 4-fluorobenzoate?
You can request a quote for Benzyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.