![3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one structure](/static/products/353/353268-77-6.webp)
3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one
TL;DR: 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one (CAS 353268-77-6) is a chemical compound with molecular formula C17H13NO6 and molecular weight 327.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3,4-dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one
Also Known As: 3-(3,4-dimethoxybenzylidene)-6-nitro-2-benzofuran-1(3H)-one, 3-[(3,4-dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one
Technical Specifications
| Molecular Formula | C17H13NO6 |
| Molecular Weight | 327.07428 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.07428 Da |
| Heavy Atoms | 24 |
| Complexity | 528.0 |
| SMILES | COC1=C(C=C(C=C1)C=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)OC |
| InChIKey | SHLRHXREUNPIDN-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one
Property Insights of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one
The XLogP value of 3.2 indicates that 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one. Following Lipinski's Rule of Five, 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one 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
What is the CAS number of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one?
The CAS number of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one is 353268-77-6.
What is the molecular formula of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one?
The molecular formula of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one is C17H13NO6.
What is the molecular weight of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one?
The molecular weight of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one is 327.07428 g/mol.
Where can I buy 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one?
You can request a quote for 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one?
Yes, CoreyChem provides custom synthesis services for 3-[(3,4-Dimethoxyphenyl)methylidene]-6-nitro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.