![Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate structure](/static/products/623/623117-67-9.png)
Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate
TL;DR: Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate (CAS 623117-67-9) is a chemical compound with molecular formula C21H18Cl2O5 and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate, Tert-butyl 2-[2-[(2,4-dichlorophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate, tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy }acetate, (Z)-tert-butyl 2-((2-(2,4-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, tert-butyl {[(2Z)-2-(2,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
| Molecular Formula | C21H18Cl2O5 |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 5.3301 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.05313 |
| Heavy Atoms | 28 |
| Complexity | 973.24664 |
Chemical Identifiers
| CAS Number | 623117-67-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/O2 |
Product Overview
Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate (CAS 623117-67-9), with molecular formula C21H18Cl2O5 and molecular weight 420.05 g/mol. IUPAC: tert-butyl 2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate
Property Insights of Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate
The XLogP value of 5.3301 indicates that Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}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 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate. Following Lipinski's Rule of Five, Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate 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 Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate?
The CAS number of Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate is 623117-67-9.
What is the molecular formula of Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate?
The molecular formula of Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate is C21H18Cl2O5.
What is the molecular weight of Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate?
The molecular weight of Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate is 420.05 g/mol.
Where can I buy Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate?
You can request a quote for Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}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 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-{2-[(2,4-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.