ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate
TL;DR: ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate (CAS 321391-90-6) is a chemical compound with molecular formula C14H16F3NO4 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
Also Known As: ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate, ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate, 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-4-isoxazolidinecarboxylic acid ethyl ester, 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)isoxazolidine-4-carboxylic acid ethyl ester, ethyl 2-methyl-5-oxidanyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
| Molecular Formula | C14H16F3NO4 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.0349 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.10315 |
| Heavy Atoms | 22 |
| Complexity | 536.6395 |
Chemical Identifiers
| CAS Number | 321391-90-6 |
|---|---|
| SMILES | CCOC(=O)C1C(N(OC1(C(F)(F)F)O)C)C2=CC=CC=C2 |
Product Overview
ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate (CAS 321391-90-6), with molecular formula C14H16F3NO4 and molecular weight 319.10 g/mol. IUPAC: ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate.
Chemical Property Profile of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate
Property Insights of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate
The XLogP value of 2.0349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate. With a topological polar surface area (TPSA) of 59.0 Ų, ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate has 1 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 ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate?
The CAS number of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate is 321391-90-6.
What is the molecular formula of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate?
The molecular formula of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate is C14H16F3NO4.
What is the molecular weight of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate?
The molecular weight of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate is 319.10 g/mol.
Where can I buy ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate?
You can request a quote for ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.