3-Nitro-4,5-dihydroisoxazole
TL;DR: 3-Nitro-4,5-dihydroisoxazole (CAS 1121-14-8) is a chemical compound with molecular formula C1CON=C1[N+](=O)[O-] and molecular weight 116.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4,5-dihydro-1,2-oxazole
Also Known As: 3-Nitro-4,5-dihydroisoxazole, 3-nitro-4,5-dihydro-1,2-oxazole, 3-NITROISOXAZOLINE, 3-Nitro-2-isoxazoline, 4,5-Dihydro-3-nitroisoxazole
| Molecular Formula | C1CON=C1[N+](=O)[O-] |
|---|---|
| Molecular Weight | 116.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.022194 |
| Heavy Atoms | 8 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 1121-14-8 |
|---|---|
| SMILES | C1CON=C1[N+](=O)[O-] |
| InChIKey | FXCSVYLFCWALFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitro-4,5-dihydroisoxazole (CAS 1121-14-8), with molecular formula C1CON=C1[N+](=O)[O-] and molecular weight 116.02 g/mol. IUPAC: 3-nitro-4,5-dihydro-1,2-oxazole.
Chemical Property Profile of 3-Nitro-4,5-dihydroisoxazole
Property Insights of 3-Nitro-4,5-dihydroisoxazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4,5-dihydroisoxazole. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4,5-dihydroisoxazole. Following Lipinski's Rule of Five, 3-Nitro-4,5-dihydroisoxazole 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
Frequently Asked Questions
What is the CAS number of 3-Nitro-4,5-dihydroisoxazole?
The CAS number of 3-Nitro-4,5-dihydroisoxazole is 1121-14-8.
What is the molecular formula of 3-Nitro-4,5-dihydroisoxazole?
The molecular formula of 3-Nitro-4,5-dihydroisoxazole is C1CON=C1[N+](=O)[O-].
What is the molecular weight of 3-Nitro-4,5-dihydroisoxazole?
The molecular weight of 3-Nitro-4,5-dihydroisoxazole is 116.02 g/mol.
Where can I buy 3-Nitro-4,5-dihydroisoxazole?
You can request a quote for 3-Nitro-4,5-dihydroisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4,5-dihydroisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4,5-dihydroisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.