![tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate structure](/static/products/6205/620548-06-3.webp)
tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
TL;DR: tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate (CAS 620548-06-3) is a chemical compound with molecular formula C21H19BrO5 and molecular weight 430.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, (Z)-tert-butyl 2-((2-(4-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, tert-butyl 2-[[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate, Tert-butyl 2-[2-[(4-bromophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate, tert-butyl 2-{2-[(4-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acet ate
| Molecular Formula | C21H19BrO5 |
|---|---|
| Molecular Weight | 430.04 g/mol |
| LogP | 4.7858 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.0416 |
| Heavy Atoms | 27 |
| Complexity | 907.1595 |
Chemical Identifiers
| CAS Number | 620548-06-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)Br)/O2 |
Product Overview
tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate (CAS 620548-06-3), with molecular formula C21H19BrO5 and molecular weight 430.04 g/mol. IUPAC: tert-butyl 2-[[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Property Insights of tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
The XLogP value of 4.7858 indicates that tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-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 tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate. Following Lipinski's Rule of Five, tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-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 tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate?
The CAS number of tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate is 620548-06-3.
What is the molecular formula of tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate?
The molecular formula of tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate is C21H19BrO5.
What is the molecular weight of tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate?
The molecular weight of tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate is 430.04 g/mol.
Where can I buy tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate?
You can request a quote for tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-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 tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl {[(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.