(Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 623117-46-4) is a chemical compound with molecular formula C18H13FO5 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, F3385-5393, methyl 2-{[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, methyl 2-[[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate, Methyl 2-[2-[(4-fluorophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate
| Molecular Formula | C18H13FO5 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 2.9937 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0747 |
| Heavy Atoms | 24 |
| Complexity | 823.8028 |
Chemical Identifiers
| CAS Number | 623117-46-4 |
|---|---|
| SMILES | COC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)F)/O2 |
Product Overview
(Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 623117-46-4), with molecular formula C18H13FO5 and molecular weight 328.07 g/mol. IUPAC: methyl 2-[[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 2.9937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate has 0 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 (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 623117-46-4.
What is the molecular formula of (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C18H13FO5.
What is the molecular weight of (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 328.07 g/mol.
Where can I buy (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((2-(4-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.