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Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate
TL;DR: Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate (CAS 438218-32-7) is a chemical compound with molecular formula C14H11F3O4 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-carboxylate
Also Known As: methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate, Methyl 5-((3-(trifluoromethyl)phenoxy)methyl)furan-2-carboxylate, methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-carboxylate, methyl 5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-carboxylate, 5-(3-Trifluoromethyl-phenoxymethyl)-furan-2-carboxylic acid methyl ester
| Molecular Formula | C14H11F3O4 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.664 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06094 |
| Heavy Atoms | 21 |
| Complexity | 631.14453 |
Chemical Identifiers
| CAS Number | 438218-32-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)COC2=CC=CC(=C2)C(F)(F)F |
Product Overview
Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate (CAS 438218-32-7), with molecular formula C14H11F3O4 and molecular weight 300.06 g/mol. IUPAC: methyl 5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-carboxylate.
Chemical Property Profile of Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate
Property Insights of Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate
The XLogP value of 3.664 indicates that Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.67 Ų, Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate 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 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate?
The CAS number of Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate is 438218-32-7.
What is the molecular formula of Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate?
The molecular formula of Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate is C14H11F3O4.
What is the molecular weight of Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate?
The molecular weight of Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate is 300.06 g/mol.
Where can I buy Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate?
You can request a quote for Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.