4-Amino-3,5-dimethylisoxazole
TL;DR: 4-Amino-3,5-dimethylisoxazole (CAS 3133-06-0) is a chemical compound with molecular formula C5H8N2O and molecular weight 112.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1,2-oxazol-4-amine
Also Known As: 3,5-Dimethylisoxazol-4-amine, 3,5-Dimethyl-4-isoxazolamine, 4-Amino-3,5-dimethylisoxazole, 3,5-dimethyl-1,2-oxazol-4-amine, dimethyl-1,2-oxazol-4-amine
| Molecular Formula | C5H8N2O |
|---|---|
| Molecular Weight | 112.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.06366 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 3133-06-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)N |
| InChIKey | INSUSOZBMWJGDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3,5-dimethylisoxazole (CAS 3133-06-0), with molecular formula C5H8N2O and molecular weight 112.06 g/mol. IUPAC: 3,5-dimethyl-1,2-oxazol-4-amine.
Chemical Property Profile of 4-Amino-3,5-dimethylisoxazole
Property Insights of 4-Amino-3,5-dimethylisoxazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-dimethylisoxazole. With a topological polar surface area (TPSA) of 52.1 Ų, 4-Amino-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3,5-dimethylisoxazole 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
Frequently Asked Questions
What is the CAS number of 4-Amino-3,5-dimethylisoxazole?
The CAS number of 4-Amino-3,5-dimethylisoxazole is 3133-06-0.
What is the molecular formula of 4-Amino-3,5-dimethylisoxazole?
The molecular formula of 4-Amino-3,5-dimethylisoxazole is C5H8N2O.
What is the molecular weight of 4-Amino-3,5-dimethylisoxazole?
The molecular weight of 4-Amino-3,5-dimethylisoxazole is 112.06 g/mol.
Where can I buy 4-Amino-3,5-dimethylisoxazole?
You can request a quote for 4-Amino-3,5-dimethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.