(5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate
TL;DR: (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate (CAS 343374-56-1) is a chemical compound with molecular formula C18H12F3NO3 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-phenyl-1,2-oxazol-3-yl)methyl 3-(trifluoromethyl)benzoate
Also Known As: (5-phenyl-1,2-oxazol-3-yl)methyl 3-(trifluoromethyl)benzoate, (5-phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate, 6N-657S, (5-phenylisoxazol-3-yl)methyl 3-(trifluoromethyl)benzoate, AB01324460-02
| Molecular Formula | C18H12F3NO3 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 4.7174 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.07693 |
| Heavy Atoms | 25 |
| Complexity | 872.5277 |
Chemical Identifiers
| CAS Number | 343374-56-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
(5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate (CAS 343374-56-1), with molecular formula C18H12F3NO3 and molecular weight 347.08 g/mol. IUPAC: (5-phenyl-1,2-oxazol-3-yl)methyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate
Property Insights of (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate
The XLogP value of 4.7174 indicates that (5-Phenyl-3-isoxazolyl)methyl 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, (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Phenyl-3-isoxazolyl)methyl 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 (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate?
The CAS number of (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate is 343374-56-1.
What is the molecular formula of (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular formula of (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate is C18H12F3NO3.
What is the molecular weight of (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular weight of (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate is 347.08 g/mol.
Where can I buy (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate?
You can request a quote for (5-Phenyl-3-isoxazolyl)methyl 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 (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenyl-3-isoxazolyl)methyl 3-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.