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Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate
TL;DR: Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate (CAS 664313-59-1) is a chemical compound with molecular formula C17H16F3NO5S and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetate
Also Known As: AH-487/41797699, ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate, ethyl 2-(4-(N-(3-(trifluoromethyl)phenyl)sulfamoyl)phenoxy)acetate, ethyl 2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetate
| Molecular Formula | C17H16F3NO5S |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 3.4481 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.07013 |
| Heavy Atoms | 27 |
| Complexity | 895.53 |
Chemical Identifiers
| CAS Number | 664313-59-1 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate (CAS 664313-59-1), with molecular formula C17H16F3NO5S and molecular weight 403.07 g/mol. IUPAC: ethyl 2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetate.
Chemical Property Profile of Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate
Property Insights of Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate
The XLogP value of 3.4481 indicates that Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate. Following Lipinski's Rule of Five, Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate has 1 hydrogen bond donor(s) and 5 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 Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate?
The CAS number of Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate is 664313-59-1.
What is the molecular formula of Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate?
The molecular formula of Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate is C17H16F3NO5S.
What is the molecular weight of Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate?
The molecular weight of Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate is 403.07 g/mol.
Where can I buy Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate?
You can request a quote for Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-{[3-(trifluoromethyl)anilino]sulfonyl}phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.