(2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate
TL;DR: (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate (CAS 862209-44-7) is a chemical compound with molecular formula C22H11BrClFO4 and molecular weight 471.95 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-bromobenzoate
Also Known As: (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate, (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-bromobenzoate, [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate, [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-bromobenzoate, 2-[(2-chloro-6-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-bromobenz oate
| Molecular Formula | C22H11BrClFO4 |
|---|---|
| Molecular Weight | 471.95 g/mol |
| LogP | 6.077 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.95132 |
| Heavy Atoms | 29 |
| Complexity | 1151.6798 |
Chemical Identifiers
| CAS Number | 862209-44-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)F |
Product Overview
(2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate (CAS 862209-44-7), with molecular formula C22H11BrClFO4 and molecular weight 471.95 g/mol. IUPAC: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate.
Chemical Property Profile of (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate
Property Insights of (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate
The XLogP value of 6.077 indicates that (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate 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 (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate?
The CAS number of (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate is 862209-44-7.
What is the molecular formula of (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate?
The molecular formula of (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate is C22H11BrClFO4.
What is the molecular weight of (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate?
The molecular weight of (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate is 471.95 g/mol.
Where can I buy (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate?
You can request a quote for (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.