3-Benzyloxy-4-fluorobenzoic acid
TL;DR: 3-Benzyloxy-4-fluorobenzoic acid (CAS 616197-92-3) is a chemical compound with molecular formula C14H11FO3 and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-phenylmethoxybenzoic acid
Also Known As: 3-Benzyloxy-4-fluorobenzoic acid, 3-(Benzyloxy)-4-fluorobenzoic acid, 4-fluoro-3-phenylmethoxybenzoic acid, 3-Benzyloxy-4-fluoro-benzoic acid, Benzoic acid, 3-benzyloxy-4-fluoro-
| Molecular Formula | C14H11FO3 |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.06923 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 616197-92-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)F |
| InChIKey | QDPLZEMDUVGSCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyloxy-4-fluorobenzoic acid (CAS 616197-92-3), with molecular formula C14H11FO3 and molecular weight 246.07 g/mol. IUPAC: 4-fluoro-3-phenylmethoxybenzoic acid.
Chemical Property Profile of 3-Benzyloxy-4-fluorobenzoic acid
Property Insights of 3-Benzyloxy-4-fluorobenzoic acid
The XLogP value of 3.0 indicates that 3-Benzyloxy-4-fluorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Benzyloxy-4-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyloxy-4-fluorobenzoic acid has 1 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 3-Benzyloxy-4-fluorobenzoic acid?
The CAS number of 3-Benzyloxy-4-fluorobenzoic acid is 616197-92-3.
What is the molecular formula of 3-Benzyloxy-4-fluorobenzoic acid?
The molecular formula of 3-Benzyloxy-4-fluorobenzoic acid is C14H11FO3.
What is the molecular weight of 3-Benzyloxy-4-fluorobenzoic acid?
The molecular weight of 3-Benzyloxy-4-fluorobenzoic acid is 246.07 g/mol.
Where can I buy 3-Benzyloxy-4-fluorobenzoic acid?
You can request a quote for 3-Benzyloxy-4-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyloxy-4-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyloxy-4-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.