(Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate
TL;DR: (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate (CAS 858758-90-4) is a chemical compound with molecular formula C25H19FO7 and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-fluorobenzoate
Also Known As: (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate, F3139-2069, (2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate, [(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-fluorobenzoate, (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate
| Molecular Formula | C25H19FO7 |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 4.6869 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.11148 |
| Heavy Atoms | 33 |
| Complexity | 1237.2422 |
Chemical Identifiers
| CAS Number | 858758-90-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)F |
Product Overview
(Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate (CAS 858758-90-4), with molecular formula C25H19FO7 and molecular weight 450.11 g/mol. IUPAC: [(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-fluorobenzoate.
Chemical Property Profile of (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate
Property Insights of (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate
The XLogP value of 4.6869 indicates that (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 7 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)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
The CAS number of (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate is 858758-90-4.
What is the molecular formula of (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
The molecular formula of (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate is C25H19FO7.
What is the molecular weight of (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
The molecular weight of (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate is 450.11 g/mol.
Where can I buy (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
You can request a quote for (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.