(Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 620547-95-7) is a chemical compound with molecular formula C22H21BrO6 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, Tert-butyl 2-[2-[(5-bromo-2-methoxy-phenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate, tert-butyl {[(2Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, tert-butyl 2-[[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate, tert-butyl 2-{2-[(5-bromo-2-methoxyphenyl)methylene]-3-oxobenzo[3,4-b]furan-6- yloxy}acetate
| Molecular Formula | C22H21BrO6 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 4.7944 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.05215 |
| Heavy Atoms | 29 |
| Complexity | 987.2824 |
Chemical Identifiers
| CAS Number | 620547-95-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC)/O2 |
Product Overview
(Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 620547-95-7), with molecular formula C22H21BrO6 and molecular weight 460.05 g/mol. IUPAC: tert-butyl 2-[[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 4.7944 indicates that (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate has 0 hydrogen bond donor(s) and 6 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)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 620547-95-7.
What is the molecular formula of (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C22H21BrO6.
What is the molecular weight of (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 460.05 g/mol.
Where can I buy (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-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)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-tert-butyl 2-((2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.