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Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate
TL;DR: Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate (CAS 330558-52-6) is a chemical compound with molecular formula C12H8F3NO3 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate
Also Known As: TimTec1_008275, methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate, BAS 03213388, methyl3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate, Methyl 3-(2-(trifluoromethyl)phenyl)isoxazole-5-carboxylate
| Molecular Formula | C12H8F3NO3 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.04562 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 330558-52-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=NO1)C2=CC=CC=C2C(F)(F)F |
| InChIKey | KJPIPUYFKUVLHU-UHFFFAOYSA-N |
Product Overview
Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate (CAS 330558-52-6), with molecular formula C12H8F3NO3 and molecular weight 271.05 g/mol. IUPAC: methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate
Property Insights of Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate
The XLogP value of 3.1 indicates that Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate has 0 hydrogen bond donor(s) and 7 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 Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate?
The CAS number of Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate is 330558-52-6.
What is the molecular formula of Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate?
The molecular formula of Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate is C12H8F3NO3.
What is the molecular weight of Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate?
The molecular weight of Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate is 271.05 g/mol.
Where can I buy Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate?
You can request a quote for Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.