(Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate
TL;DR: (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate (CAS 877790-37-9) is a chemical compound with molecular formula C25H18ClFO5 and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-2-phenylacetate
Also Known As: (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate, ethyl {[(2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}(phenyl)acetate, ethyl 2-[[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-2-phenylacetate, Ethyl 2-[2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl]oxy-2-phenyl-acetate, ethyl 2-{2-[(2-chloro-6-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy }-2-phenylacetate
| Molecular Formula | C25H18ClFO5 |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 5.7785 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.08267 |
| Heavy Atoms | 32 |
| Complexity | 1185.9591 |
Chemical Identifiers
| CAS Number | 877790-37-9 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/O3 |
Product Overview
(Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate (CAS 877790-37-9), with molecular formula C25H18ClFO5 and molecular weight 452.08 g/mol. IUPAC: ethyl 2-[[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-2-phenylacetate.
Chemical Property Profile of (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate
Property Insights of (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate
The XLogP value of 5.7785 indicates that (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate. Following Lipinski's Rule of Five, (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate?
The CAS number of (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate is 877790-37-9.
What is the molecular formula of (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate?
The molecular formula of (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate is C25H18ClFO5.
What is the molecular weight of (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate?
The molecular weight of (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate is 452.08 g/mol.
Where can I buy (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate?
You can request a quote for (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)-2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.