benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 620548-36-9) 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.
benzyl 2-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxy]acetate
Also Known As: benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate, Benzyl 2-((3-oxo-2-(3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate, benzyl 2-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxy]acetate, phenylmethyl 2-[2-((2E)-3-phenylprop-2-enylidene)-3-oxobenzo[3,4-b]furan-6-ylo xy]acetate, benzyl ({(2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
| Molecular Formula | C26H20O5 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 4.9812 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.13107 |
| Heavy Atoms | 31 |
| Complexity | 1130.9736 |
Chemical Identifiers
| CAS Number | 620548-36-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)COC2=CC3=C(C=C2)C(=O)/C(=C/C=C/C4=CC=CC=C4)/O3 |
Product Overview
benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 620548-36-9), with molecular formula C26H20O5 and molecular weight 412.13 g/mol. IUPAC: benzyl 2-[[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 4.9812 indicates that benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate 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 benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-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 benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 620548-36-9.
What is the molecular formula of benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C26H20O5.
What is the molecular weight of benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 412.13 g/mol.
Where can I buy benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-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 benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2-(((Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.