4,5-Dimethylisoxazol-3-amine
TL;DR: 4,5-Dimethylisoxazol-3-amine (CAS 13999-39-8) is a chemical compound with molecular formula C5H8N2O and molecular weight 112.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethyl-1,2-oxazol-3-amine
Also Known As: 3-Amino-4,5-Dimethylisoxazole, 4,5-Dimethylisoxazol-3-amine, dimethyl-1,2-oxazol-3-amine, 4,5-dimethyl-3-isoxazolamine, 3-Isoxazolamine, 4,5-dimethyl-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.06366 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.06366 Da |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
| SMILES | CC1=C(ON=C1N)C |
| InChIKey | VPANVNSDJSUFEF-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dimethylisoxazol-3-amine
Property Insights of 4,5-Dimethylisoxazol-3-amine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethylisoxazol-3-amine. With a topological polar surface area (TPSA) of 52.1 Ų, 4,5-Dimethylisoxazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethylisoxazol-3-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dimethylisoxazol-3-amine?
The CAS number of 4,5-Dimethylisoxazol-3-amine is 13999-39-8.
What is the molecular formula of 4,5-Dimethylisoxazol-3-amine?
The molecular formula of 4,5-Dimethylisoxazol-3-amine is C5H8N2O.
What is the molecular weight of 4,5-Dimethylisoxazol-3-amine?
The molecular weight of 4,5-Dimethylisoxazol-3-amine is 112.06366 g/mol.
Where can I buy 4,5-Dimethylisoxazol-3-amine?
You can request a quote for 4,5-Dimethylisoxazol-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dimethylisoxazol-3-amine?
Yes, CoreyChem provides custom synthesis services for 4,5-Dimethylisoxazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.