methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate
TL;DR: methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate (CAS 622804-69-7) is a chemical compound with molecular formula C26H20O5 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxymethyl]benzoate
Also Known As: methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate, methyl 4-[({(2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate, methyl 4-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxymethyl]benzoate, methyl 4-{[2-((2E)-3-phenylprop-2-enylidene)-3-oxobenzo[3,4-b]furan-6-yloxy]me thyl}benzoate
| Molecular Formula | C26H20O5 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 5.2246 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.13107 |
| Heavy Atoms | 31 |
| Complexity | 1158.1615 |
Chemical Identifiers
| CAS Number | 622804-69-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)/C(=C/C=C/C4=CC=CC=C4)/O3 |
Product Overview
methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate (CAS 622804-69-7), with molecular formula C26H20O5 and molecular weight 412.13 g/mol. IUPAC: methyl 4-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxymethyl]benzoate.
Chemical Property Profile of methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate
Property Insights of methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate
The XLogP value of 5.2246 indicates that methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-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-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate. Following Lipinski's Rule of Five, methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-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-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate?
The CAS number of methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate is 622804-69-7.
What is the molecular formula of methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate?
The molecular formula of methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate is C26H20O5.
What is the molecular weight of methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate?
The molecular weight of methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate is 412.13 g/mol.
Where can I buy methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate?
You can request a quote for methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-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-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.