5-Amino-3,4-dimethylisoxazole
TL;DR: 5-Amino-3,4-dimethylisoxazole (CAS 19947-75-2) 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.
3,4-dimethyl-1,2-oxazol-5-amine
Also Known As: 5-Amino-3,4-dimethylisoxazole, 3,4-Dimethylisoxazol-5-amine, 5-Isoxazolamine, 3,4-dimethyl-, 3,4-dimethyl-1,2-oxazol-5-amine, dimethyl-1,2-oxazol-5-amine
| Molecular Formula | C5H8N2O |
|---|---|
| Molecular Weight | 112.06 g/mol |
| LogP | 0.8 |
| 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 | 19947-75-2 |
|---|---|
| SMILES | CC1=C(ON=C1C)N |
| InChIKey | PYNDWPFZDQONDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-3,4-dimethylisoxazole (CAS 19947-75-2), with molecular formula C5H8N2O and molecular weight 112.06 g/mol. IUPAC: 3,4-dimethyl-1,2-oxazol-5-amine.
Chemical Property Profile of 5-Amino-3,4-dimethylisoxazole
Property Insights of 5-Amino-3,4-dimethylisoxazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3,4-dimethylisoxazole. With a topological polar surface area (TPSA) of 52.1 Ų, 5-Amino-3,4-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-3,4-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 5-Amino-3,4-dimethylisoxazole?
The CAS number of 5-Amino-3,4-dimethylisoxazole is 19947-75-2.
What is the molecular formula of 5-Amino-3,4-dimethylisoxazole?
The molecular formula of 5-Amino-3,4-dimethylisoxazole is C5H8N2O.
What is the molecular weight of 5-Amino-3,4-dimethylisoxazole?
The molecular weight of 5-Amino-3,4-dimethylisoxazole is 112.06 g/mol.
Where can I buy 5-Amino-3,4-dimethylisoxazole?
You can request a quote for 5-Amino-3,4-dimethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3,4-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3,4-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.