Methyl 4-((4-fluorobenzyl)oxy)benzoate
TL;DR: Methyl 4-((4-fluorobenzyl)oxy)benzoate (CAS 84403-90-7) is a chemical compound with molecular formula C15H13FO3 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-fluorophenyl)methoxy]benzoate
Also Known As: Methyl 4-((4-fluorobenzyl)oxy)benzoate, methyl 4-[(4-fluorobenzyl)oxy]benzoate, methyl 4-[(4-fluorophenyl)methoxy]benzoate, methyl 4-(4-fluorobenzyloxy)-benzoate, Benzoic acid, 4-[(4-fluorophenyl)methoxy]-, methyl ester
| Molecular Formula | C15H13FO3 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.08487 |
| Heavy Atoms | 19 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 84403-90-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)F |
| InChIKey | DYKQVZUUFRCVNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-((4-fluorobenzyl)oxy)benzoate (CAS 84403-90-7), with molecular formula C15H13FO3 and molecular weight 260.08 g/mol. IUPAC: methyl 4-[(4-fluorophenyl)methoxy]benzoate.
Chemical Property Profile of Methyl 4-((4-fluorobenzyl)oxy)benzoate
Property Insights of Methyl 4-((4-fluorobenzyl)oxy)benzoate
The XLogP value of 3.7 indicates that Methyl 4-((4-fluorobenzyl)oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 4-((4-fluorobenzyl)oxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-((4-fluorobenzyl)oxy)benzoate has 0 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 Methyl 4-((4-fluorobenzyl)oxy)benzoate?
The CAS number of Methyl 4-((4-fluorobenzyl)oxy)benzoate is 84403-90-7.
What is the molecular formula of Methyl 4-((4-fluorobenzyl)oxy)benzoate?
The molecular formula of Methyl 4-((4-fluorobenzyl)oxy)benzoate is C15H13FO3.
What is the molecular weight of Methyl 4-((4-fluorobenzyl)oxy)benzoate?
The molecular weight of Methyl 4-((4-fluorobenzyl)oxy)benzoate is 260.08 g/mol.
Where can I buy Methyl 4-((4-fluorobenzyl)oxy)benzoate?
You can request a quote for Methyl 4-((4-fluorobenzyl)oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((4-fluorobenzyl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((4-fluorobenzyl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.