Isoxazole
TL;DR: Isoxazole (CAS 288-14-2) is a chemical compound with molecular formula C3H3NO and molecular weight 69.02146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-oxazole
Also Known As: ISOXAZOLE, 1,2-oxazole, Isooxazole, Isoxazoles, 1-Oxa-2-azacyclopentadiene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H3NO |
| Molecular Weight | 69.02146 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 69.02146 Da |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
| Vapor Pressure | 45.5 [mmHg] |
| SMILES | C1=CON=C1 |
| InChIKey | CTAPFRYPJLPFDF-UHFFFAOYSA-N |
Product Description
Applications: Isoxazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Isoxazole (CAS 288-14-2) has the molecular formula C3H3NO and a molecular weight of 69.02 g/mol. Synonyms include ISOXAZOLE and 1,2-oxazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isoxazole
Property Insights of Isoxazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, Isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoxazole?
The CAS number of Isoxazole is 288-14-2.
What is the molecular formula of Isoxazole?
The molecular formula of Isoxazole is C3H3NO.
What is the molecular weight of Isoxazole?
The molecular weight of Isoxazole is 69.02146 g/mol.
What are the applications of Isoxazole?
Isoxazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isoxazole?
You can request a quote for Isoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoxazole?
Yes, CoreyChem provides custom synthesis services for Isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.