3-Methylisoxazole
TL;DR: 3-Methylisoxazole (CAS 30842-90-1) is a chemical compound with molecular formula C4H5NO and molecular weight 83.03712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1,2-oxazole
Also Known As: 3-Methylisoxazole, Isoxazole, 3-methyl-, 3-Methyl-isoxazole, 3-methyl-1,2-oxazole, methylisoxazole
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5NO |
| Molecular Weight | 83.03712 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 83.03712 Da |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
| SMILES | CC1=NOC=C1 |
| InChIKey | CUMCMYMKECWGHO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylisoxazole
Property Insights of 3-Methylisoxazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Methylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylisoxazole 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-Methylisoxazole?
The CAS number of 3-Methylisoxazole is 30842-90-1.
What is the molecular formula of 3-Methylisoxazole?
The molecular formula of 3-Methylisoxazole is C4H5NO.
What is the molecular weight of 3-Methylisoxazole?
The molecular weight of 3-Methylisoxazole is 83.03712 g/mol.
Where can I buy 3-Methylisoxazole?
You can request a quote for 3-Methylisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylisoxazole?
Yes, CoreyChem provides custom synthesis services for 3-Methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.