1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea
TL;DR: 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea (CAS 304440-06-0) is a chemical compound with molecular formula C15H16F3N3O2 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
Also Known As: 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea, 3188AB, 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea, J1.393.833D, 1-(5-(Tert-butyl)isoxazol-3(2h)-ylidene)-3-(2-(trifluoromethyl)phenyl)urea
| Molecular Formula | C15H16F3N3O2 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 4.6349 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.11948 |
| Heavy Atoms | 23 |
| Complexity | 702.478 |
Chemical Identifiers
| CAS Number | 304440-06-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=CC=C2C(F)(F)F |
Product Overview
1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea (CAS 304440-06-0), with molecular formula C15H16F3N3O2 and molecular weight 327.12 g/mol. IUPAC: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea
Property Insights of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea
The XLogP value of 4.6349 indicates that 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea. Following Lipinski's Rule of Five, 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea has 2 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 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea?
The CAS number of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea is 304440-06-0.
What is the molecular formula of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea?
The molecular formula of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea is C15H16F3N3O2.
What is the molecular weight of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea?
The molecular weight of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea is 327.12 g/mol.
Where can I buy 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea?
You can request a quote for 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.