3-Nitro-5-formylisoxazole
TL;DR: 3-Nitro-5-formylisoxazole (CAS 108802-81-9) is a chemical compound with molecular formula C4H2N2O4 and molecular weight 142.00145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-1,2-oxazole-5-carbaldehyde
Also Known As: 3-Nitro-5-formylisoxazole, 3-nitroisoxazole-5-carbaldehyde, 3-nitro-1,2-oxazole-5-carbaldehyde, NCI60_008360, 3-(Hydroxy(oxido)amino)-5-isoxazolecarbaldehyde
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H2N2O4 |
| Molecular Weight | 142.00145 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.00145 Da |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
| SMILES | C1=C(ON=C1[N+](=O)[O-])C=O |
| InChIKey | QBOPICQGFGIYPY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-5-formylisoxazole
Property Insights of 3-Nitro-5-formylisoxazole
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-5-formylisoxazole. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-5-formylisoxazole. Following Lipinski's Rule of Five, 3-Nitro-5-formylisoxazole has 0 hydrogen bond donor(s) and 5 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-Nitro-5-formylisoxazole?
The CAS number of 3-Nitro-5-formylisoxazole is 108802-81-9.
What is the molecular formula of 3-Nitro-5-formylisoxazole?
The molecular formula of 3-Nitro-5-formylisoxazole is C4H2N2O4.
What is the molecular weight of 3-Nitro-5-formylisoxazole?
The molecular weight of 3-Nitro-5-formylisoxazole is 142.00145 g/mol.
Where can I buy 3-Nitro-5-formylisoxazole?
You can request a quote for 3-Nitro-5-formylisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-5-formylisoxazole?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-5-formylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.