![methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate structure](/static/products/6228/622804-13-1.webp)
methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate
TL;DR: methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate (CAS 622804-13-1) is a chemical compound with molecular formula C26H22O5 and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate
Also Known As: methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate, methyl 4-({2-[(4-ethylphenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate, methyl 4-[[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate, (Z)-methyl 4-(((2-(4-ethylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate, 4-[2-(4-ethyl-benzylidene)-3-oxo-2,3-dihydro-benzofuran-6-yloxymethyl]-benzoic acid methyl ester
| Molecular Formula | C26H22O5 |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 5.2308 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.14673 |
| Heavy Atoms | 31 |
| Complexity | 1141.4198 |
Chemical Identifiers
| CAS Number | 622804-13-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate (CAS 622804-13-1), with molecular formula C26H22O5 and molecular weight 414.15 g/mol. IUPAC: methyl 4-[[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate.
Chemical Property Profile of methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate
Property Insights of methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate
The XLogP value of 5.2308 indicates that methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate 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 methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate 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 methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate?
The CAS number of methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate is 622804-13-1.
What is the molecular formula of methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate?
The molecular formula of methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate is C26H22O5.
What is the molecular weight of methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate?
The molecular weight of methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate is 414.15 g/mol.
Where can I buy methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate?
You can request a quote for methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.