3,5-Dimethyl-4-nitroisoxazole
TL;DR: 3,5-Dimethyl-4-nitroisoxazole (CAS 1125-74-2) is a chemical compound with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-nitro-1,2-oxazole
Also Known As: 3,5-Dimethyl-4-nitroisoxazole, 3,5-dimethyl-4-nitro-1,2-oxazole, Isoxazole, 3,5-dimethyl-4-nitro-, 3,5-Dimethyl-4-nitro-isoxazole, 4-nitro-3,5-dimethylisoxazole
| Molecular Formula | C5H6N2O3 |
|---|---|
| Molecular Weight | 142.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.03784 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 1125-74-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)[N+](=O)[O-] |
| InChIKey | PMQFLWLYAXYFHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-nitroisoxazole (CAS 1125-74-2), with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol. IUPAC: 3,5-dimethyl-4-nitro-1,2-oxazole.
Chemical Property Profile of 3,5-Dimethyl-4-nitroisoxazole
Property Insights of 3,5-Dimethyl-4-nitroisoxazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-nitroisoxazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-nitroisoxazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-nitroisoxazole 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 3,5-Dimethyl-4-nitroisoxazole?
The CAS number of 3,5-Dimethyl-4-nitroisoxazole is 1125-74-2.
What is the molecular formula of 3,5-Dimethyl-4-nitroisoxazole?
The molecular formula of 3,5-Dimethyl-4-nitroisoxazole is C5H6N2O3.
What is the molecular weight of 3,5-Dimethyl-4-nitroisoxazole?
The molecular weight of 3,5-Dimethyl-4-nitroisoxazole is 142.04 g/mol.
Where can I buy 3,5-Dimethyl-4-nitroisoxazole?
You can request a quote for 3,5-Dimethyl-4-nitroisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-nitroisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-nitroisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.