![[2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate structure](/static/products/844/844855-19-2.png)
[2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate
TL;DR: [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate (CAS 844855-19-2) is a chemical compound with molecular formula C26H20ClFO4 and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate
Also Known As: [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate|(2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate|(Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate|[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate|2-[(2-chloro-6-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-(tert-but yl)benzoate
| Molecular Formula | C26H20ClFO4 |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 6.612 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.10342 |
| Heavy Atoms | 32 |
| Complexity | 1233.5588 |
Chemical Identifiers
| CAS Number | 844855-19-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/O3 |
Product Overview
[2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate (CAS 844855-19-2), with molecular formula C26H20ClFO4 and molecular weight 450.10 g/mol. IUPAC: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate.
Chemical Property Profile of [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate
Property Insights of [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate
The XLogP value of 6.612 indicates that [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate?
The CAS number of [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate is 844855-19-2.
What is the molecular formula of [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate?
The molecular formula of [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate is C26H20ClFO4.
What is the molecular weight of [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate?
The molecular weight of [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate is 450.10 g/mol.
Where can I buy [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate?
You can request a quote for [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.