5-Methylisoxazol-3-amine acetate
TL;DR: 5-Methylisoxazol-3-amine acetate (CAS 211429-86-6) is a chemical compound with molecular formula C6H5F3N2O2 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: 5-Methylisoxazol-3-amine acetate, 5-Methylisoxazol-3-trifluoroacetylamine, 3-Trifluoroacetylamino-5-methyl-isoxazole, Isoxazole, 3-trifluoroacetylamino-5-methyl-, 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C6H5F3N2O2 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.48382 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03032 |
| Heavy Atoms | 13 |
| Complexity | 317.9244 |
Chemical Identifiers
| CAS Number | 211429-86-6 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C(F)(F)F |
Product Overview
5-Methylisoxazol-3-amine acetate (CAS 211429-86-6), with molecular formula C6H5F3N2O2 and molecular weight 194.03 g/mol. IUPAC: 2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of 5-Methylisoxazol-3-amine acetate
Property Insights of 5-Methylisoxazol-3-amine acetate
The XLogP value of 1.48382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylisoxazol-3-amine acetate. With a topological polar surface area (TPSA) of 55.13 Ų, 5-Methylisoxazol-3-amine acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylisoxazol-3-amine acetate 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-Methylisoxazol-3-amine acetate?
The CAS number of 5-Methylisoxazol-3-amine acetate is 211429-86-6.
What is the molecular formula of 5-Methylisoxazol-3-amine acetate?
The molecular formula of 5-Methylisoxazol-3-amine acetate is C6H5F3N2O2.
What is the molecular weight of 5-Methylisoxazol-3-amine acetate?
The molecular weight of 5-Methylisoxazol-3-amine acetate is 194.03 g/mol.
Where can I buy 5-Methylisoxazol-3-amine acetate?
You can request a quote for 5-Methylisoxazol-3-amine acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylisoxazol-3-amine acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylisoxazol-3-amine acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.