![3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one structure](/static/products/1599/159928-36-6.webp)
3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
TL;DR: 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one (CAS 159928-36-6) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-nitrophenyl)methylidene]chromen-4-one
Also Known As: NCI60_016086, 3-[(3-nitrophenyl)methylidene]chromen-4-one, 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one, 3-(3-nitrobenzylidene)-2,3-dihydro-4H-chromen-4-one, 3-[(E)-(3-nitrophenyl)methylidene]-2,3-dihydro-4H-chromen-4-one
Technical Specifications
| Molecular Formula | C16H11NO4 |
| Molecular Weight | 281.06882 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.06882 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | C1C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O1 |
| InChIKey | NBQPUTOGVZAGGJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
Property Insights of 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
The XLogP value of 3.2 indicates that 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one. Following Lipinski's Rule of Five, 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-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
What is the CAS number of 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
The CAS number of 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one is 159928-36-6.
What is the molecular formula of 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
The molecular formula of 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one is C16H11NO4.
What is the molecular weight of 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
The molecular weight of 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one is 281.06882 g/mol.
Where can I buy 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
You can request a quote for 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one?
Yes, CoreyChem provides custom synthesis services for 3-[(3-nitrophenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.