1-(4-Nitroisoxazol-3-yl)ethanone
TL;DR: 1-(4-Nitroisoxazol-3-yl)ethanone (CAS 550301-44-5) is a chemical compound with molecular formula C5H4N2O4 and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitro-1,2-oxazol-3-yl)ethanone
Also Known As: Ethanone,1- -, 1-(4-nitroisoxazol-3-yl)ethanone, 1-(4-nitro-1,2-oxazol-3-yl)ethanone, Ethanone,1-(4-nitro-3-isoxazolyl)-, 1-(4-nitro-1,2-oxazol-3-yl)ethan-1-one
| Molecular Formula | C5H4N2O4 |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 0.7854 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0171 |
| Heavy Atoms | 11 |
| Complexity | 274.686 |
Chemical Identifiers
| CAS Number | 550301-44-5 |
|---|---|
| SMILES | CC(=O)C1=NOC=C1[N+](=O)[O-] |
Product Overview
1-(4-Nitroisoxazol-3-yl)ethanone (CAS 550301-44-5), with molecular formula C5H4N2O4 and molecular weight 156.02 g/mol. IUPAC: 1-(4-nitro-1,2-oxazol-3-yl)ethanone.
Chemical Property Profile of 1-(4-Nitroisoxazol-3-yl)ethanone
Property Insights of 1-(4-Nitroisoxazol-3-yl)ethanone
The XLogP value of 0.7854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitroisoxazol-3-yl)ethanone. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitroisoxazol-3-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-Nitroisoxazol-3-yl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(4-Nitroisoxazol-3-yl)ethanone?
The CAS number of 1-(4-Nitroisoxazol-3-yl)ethanone is 550301-44-5.
What is the molecular formula of 1-(4-Nitroisoxazol-3-yl)ethanone?
The molecular formula of 1-(4-Nitroisoxazol-3-yl)ethanone is C5H4N2O4.
What is the molecular weight of 1-(4-Nitroisoxazol-3-yl)ethanone?
The molecular weight of 1-(4-Nitroisoxazol-3-yl)ethanone is 156.02 g/mol.
Where can I buy 1-(4-Nitroisoxazol-3-yl)ethanone?
You can request a quote for 1-(4-Nitroisoxazol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitroisoxazol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitroisoxazol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.