![3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine structure](/static/products/4462/446276-00-2.webp)
3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine
TL;DR: 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine (CAS 446276-00-2) is a chemical compound with molecular formula C11H9F3N2O and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
Also Known As: 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine, 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine, methyltrifluoromethylphenylisoxazolamine, 3-Methyl-4-(3-(trifluoromethyl)phenyl)isoxazol-5-amine, 3-Methyl-4-[3-(trifluoromethyl)phenyl]isoxazol-5-amine
| Molecular Formula | C11H9F3N2O |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.25102 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.0667 |
| Heavy Atoms | 17 |
| Complexity | 526.38983 |
Chemical Identifiers
| CAS Number | 446276-00-2 |
|---|---|
| SMILES | CC1=NOC(=C1C2=CC(=CC=C2)C(F)(F)F)N |
Product Overview
3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine (CAS 446276-00-2), with molecular formula C11H9F3N2O and molecular weight 242.07 g/mol. IUPAC: 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
Chemical Property Profile of 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine
Property Insights of 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine
The XLogP value of 3.25102 indicates that 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.05 Ų, 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine 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 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine?
The CAS number of 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine is 446276-00-2.
What is the molecular formula of 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine?
The molecular formula of 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine is C11H9F3N2O.
What is the molecular weight of 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine?
The molecular weight of 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine is 242.07 g/mol.
Where can I buy 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine?
You can request a quote for 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-[3-(trifluoromethyl)phenyl]-5-isoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.