![3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine structure](/static/products/5519/551930-91-7.webp)
3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine
TL;DR: 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine (CAS 551930-91-7) is a chemical compound with molecular formula C13H8F3N3O2 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-d]pyrimidine
Also Known As: 5P-334S, 3-methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine, 3-methyl-4-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-d]pyrimidine, 3-Methyl-4-(3-(trifluoromethyl)phenoxy)isoxazolo[5,4-d]pyrimidine, 9-methyl-2-[3-(trifluoromethyl)phenoxy]-7-oxa-3,5,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene
| Molecular Formula | C13H8F3N3O2 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 3.73732 |
| Topological Polar Surface Area | 61.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.05685 |
| Heavy Atoms | 21 |
| Complexity | 798.701 |
Chemical Identifiers
| CAS Number | 551930-91-7 |
|---|---|
| SMILES | CC1=NOC2=C1C(=NC=N2)OC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine (CAS 551930-91-7), with molecular formula C13H8F3N3O2 and molecular weight 295.06 g/mol. IUPAC: 3-methyl-4-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-d]pyrimidine.
Chemical Property Profile of 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine
Property Insights of 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine
The XLogP value of 3.73732 indicates that 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine. Following Lipinski's Rule of Five, 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine has 0 hydrogen bond donor(s) and 5 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)phenoxy]isoxazolo[5,4-d]pyrimidine?
The CAS number of 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine is 551930-91-7.
What is the molecular formula of 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine?
The molecular formula of 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine is C13H8F3N3O2.
What is the molecular weight of 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine?
The molecular weight of 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine is 295.06 g/mol.
Where can I buy 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine?
You can request a quote for 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine 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)phenoxy]isoxazolo[5,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-[3-(trifluoromethyl)phenoxy]isoxazolo[5,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.