![2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate structure](/static/products/7048/7048-10-4.webp)
2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate
TL;DR: 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate (CAS 7048-10-4) is a chemical compound with molecular formula C22H12FNO6 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-fluorobenzoate
Also Known As: 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate, [2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-fluorobenzoate, [2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-fluorobenzoate
| Molecular Formula | C22H12FNO6 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 4.5693 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.06488 |
| Heavy Atoms | 30 |
| Complexity | 1216.5524 |
Chemical Identifiers
| CAS Number | 7048-10-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)F |
Product Overview
2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate (CAS 7048-10-4), with molecular formula C22H12FNO6 and molecular weight 405.06 g/mol. IUPAC: [2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-fluorobenzoate.
Chemical Property Profile of 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate
Property Insights of 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate
The XLogP value of 4.5693 indicates that 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 6 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 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate?
The CAS number of 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate is 7048-10-4.
What is the molecular formula of 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate?
The molecular formula of 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate is C22H12FNO6.
What is the molecular weight of 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate?
The molecular weight of 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate is 405.06 g/mol.
Where can I buy 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate?
You can request a quote for 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.