![(3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one structure](/static/products/4587/4587-89-7.webp)
(3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one
TL;DR: (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one (CAS 4587-89-7) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one
Also Known As: BAS 00163775, (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one, 3-[(2,5-dimethylphenyl)-nitromethylidene]isobenzo[b]furan-1-one
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 3.57634 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 836.3026 |
Chemical Identifiers
| CAS Number | 4587-89-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)/C(=C\2/C3=CC=CC=C3C(=O)O2)/[N+](=O)[O-] |
Product Overview
(3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one (CAS 4587-89-7), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one.
Chemical Property Profile of (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one
Property Insights of (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one
The XLogP value of 3.57634 indicates that (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one. Following Lipinski's Rule of Five, (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one has 0 hydrogen bond donor(s) and 4 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 (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one?
The CAS number of (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one is 4587-89-7.
What is the molecular formula of (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one?
The molecular formula of (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one is C17H13NO4.
What is the molecular weight of (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one?
The molecular weight of (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one is 295.08 g/mol.
Where can I buy (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one?
You can request a quote for (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.