![Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate structure](/static/products/7048/7048-21-7.webp)
Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate
TL;DR: Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate (CAS 7048-21-7) is a chemical compound with molecular formula C24H17NO7 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate, benzyl 2-[[2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate, Benzyl ({2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
| Molecular Formula | C24H17NO7 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 4.3332 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.1005 |
| Heavy Atoms | 32 |
| Complexity | 1218.0272 |
Chemical Identifiers
| CAS Number | 7048-21-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])O3 |
Product Overview
Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate (CAS 7048-21-7), with molecular formula C24H17NO7 and molecular weight 431.10 g/mol. IUPAC: benzyl 2-[[2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate
Property Insights of Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate
The XLogP value of 4.3332 indicates that Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate. Following Lipinski's Rule of Five, Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate has 0 hydrogen bond donor(s) and 7 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 Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate?
The CAS number of Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate is 7048-21-7.
What is the molecular formula of Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate?
The molecular formula of Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate is C24H17NO7.
What is the molecular weight of Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate?
The molecular weight of Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate is 431.10 g/mol.
Where can I buy Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate?
You can request a quote for Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-[2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.