![2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate structure](/static/products/622/622804-66-4.png)
2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate
TL;DR: 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate (CAS 622804-66-4) is a chemical compound with molecular formula C22H12BrFO4 and molecular weight 437.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-fluorobenzoate
Also Known As: [2-[(4-bromophenyl)methylidene]-3-oxo-benzofuran-6-yl] 2-fluorobenzoate|2-[(4-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate|(2Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-fluorobenzoate|(Z)-2-(4-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-fluorobenzoate|[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-fluorobenzoate
| Molecular Formula | C22H12BrFO4 |
|---|---|
| Molecular Weight | 437.99 g/mol |
| LogP | 5.4236 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.9903 |
| Heavy Atoms | 28 |
| Complexity | 1119.6356 |
Chemical Identifiers
| CAS Number | 622804-66-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)Br)/O3)F |
Product Overview
2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate (CAS 622804-66-4), with molecular formula C22H12BrFO4 and molecular weight 437.99 g/mol. IUPAC: [(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-fluorobenzoate.
Chemical Property Profile of 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate
Property Insights of 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate
The XLogP value of 5.4236 indicates that 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate 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-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate 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-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate?
The CAS number of 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate is 622804-66-4.
What is the molecular formula of 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate?
The molecular formula of 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate is C22H12BrFO4.
What is the molecular weight of 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate?
The molecular weight of 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate is 437.99 g/mol.
Where can I buy 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate?
You can request a quote for 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.