3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate
TL;DR: 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate (CAS 303987-02-2) is a chemical compound with molecular formula C17H10F3NO3 and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenyl-1,2-oxazol-5-yl) 3-(trifluoromethyl)benzoate
Also Known As: 3-phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate, (3-phenyl-1,2-oxazol-5-yl) 3-(trifluoromethyl)benzoate, 3-phenyl-1,2-oxazol-5-yl 3-(trifluoromethyl)benzoate, 3-phenyl-1,2-oxazol-5-yl3-(trifluoromethyl)benzoate
| Molecular Formula | C17H10F3NO3 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 4.5796 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.06128 |
| Heavy Atoms | 24 |
| Complexity | 856.7723 |
Chemical Identifiers
| CAS Number | 303987-02-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)OC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate (CAS 303987-02-2), with molecular formula C17H10F3NO3 and molecular weight 333.06 g/mol. IUPAC: (3-phenyl-1,2-oxazol-5-yl) 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate
Property Insights of 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate
The XLogP value of 4.5796 indicates that 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate has 0 hydrogen bond donor(s) and 4 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-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate?
The CAS number of 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate is 303987-02-2.
What is the molecular formula of 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate is C17H10F3NO3.
What is the molecular weight of 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate is 333.06 g/mol.
Where can I buy 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-isoxazolyl 3-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.