3-benzylidene-6-nitro-2-benzofuran-1(3H)-one
TL;DR: 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one (CAS 15298-16-5) is a chemical compound with molecular formula C15H9NO4 and molecular weight 267.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-benzylidene-6-nitro-2-benzofuran-1-one
Also Known As: 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one, (3Z)-3-benzylidene-6-nitro-2-benzofuran-1-one, AI-559/15533005
Technical Specifications
| Molecular Formula | C15H9NO4 |
| Molecular Weight | 267.05316 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.05316 Da |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
| SMILES | C1=CC=C(C=C1)/C=C\2/C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2 |
| InChIKey | RWEIQGLZAWVMHU-ZSOIEALJSA-N |
Chemical Property Profile of 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one
Property Insights of 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one
The XLogP value of 3.3 indicates that 3-benzylidene-6-nitro-2-benzofuran-1(3H)-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-benzylidene-6-nitro-2-benzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-benzylidene-6-nitro-2-benzofuran-1(3H)-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-benzylidene-6-nitro-2-benzofuran-1(3H)-one?
The CAS number of 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one is 15298-16-5.
What is the molecular formula of 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one?
The molecular formula of 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one is C15H9NO4.
What is the molecular weight of 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one?
The molecular weight of 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one is 267.05316 g/mol.
Where can I buy 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one?
You can request a quote for 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-benzylidene-6-nitro-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.