3,5-Dimethylisoxazole
TL;DR: 3,5-Dimethylisoxazole (CAS 300-87-8) is a chemical compound with molecular formula C5H7NO and molecular weight 97.052765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-1,2-oxazole
Also Known As: 3,5-Dimethylisoxazole, 3,5-dimethyl-1,2-oxazole, 3,5-Dimethylisooxazole, ISOXAZOLE, 3,5-DIMETHYL-, 3,5-Dwumetyloizoksazolu
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.052765 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 97.052765 Da |
| Heavy Atoms | 7 |
| Complexity | 65.0 |
| SMILES | CC1=CC(=NO1)C |
| InChIKey | FICAQKBMCKEFDI-UHFFFAOYSA-N |
Product Description
Applications: 3,5-Dimethylisoxazole 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, 3,5-Dimethylisoxazole (CAS 300-87-8) has the molecular formula C5H7NO and a molecular weight of 97.05 g/mol. Synonyms include 3,5-Dimethylisoxazole and 3,5-dimethyl-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 3,5-Dimethylisoxazole
Property Insights of 3,5-Dimethylisoxazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 3,5-Dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylisoxazole 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 3,5-Dimethylisoxazole?
The CAS number of 3,5-Dimethylisoxazole is 300-87-8.
What is the molecular formula of 3,5-Dimethylisoxazole?
The molecular formula of 3,5-Dimethylisoxazole is C5H7NO.
What is the molecular weight of 3,5-Dimethylisoxazole?
The molecular weight of 3,5-Dimethylisoxazole is 97.052765 g/mol.
What are the applications of 3,5-Dimethylisoxazole?
3,5-Dimethylisoxazole 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 3,5-Dimethylisoxazole?
You can request a quote for 3,5-Dimethylisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethylisoxazole?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.