(3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate
TL;DR: (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate (CAS 959265-34-0) is a chemical compound with molecular formula C15H14F3NO3 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate
Also Known As: (3,5-dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate, 3,5-dimethylisoxazol-4-yl 2-benzyl-3,3,3-trifluoropropanoate, Benzenepropanoic acid, alpha-trifluoromethyl-, 3,5-dimethyl-4-isoxazolyl ester, 3,5-Dimethyl-1,2-oxazol-4-yl 2-benzyl-3,3,3-trifluoropropanoate, 3,5-Dimethyl-4-isoxazolyl 2-benzyl-3,3,3-trifluoropropanoate #
| Molecular Formula | C15H14F3NO3 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0926 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 959265-34-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)OC(=O)C(CC2=CC=CC=C2)C(F)(F)F |
| InChIKey | QBYPVBKYMRBDGK-UHFFFAOYSA-N |
Product Overview
(3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate (CAS 959265-34-0), with molecular formula C15H14F3NO3 and molecular weight 313.09 g/mol. IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate.
Chemical Property Profile of (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate
Property Insights of (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate
The XLogP value of 4.0 indicates that (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate 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 (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate?
The CAS number of (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate is 959265-34-0.
What is the molecular formula of (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate?
The molecular formula of (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate is C15H14F3NO3.
What is the molecular weight of (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate?
The molecular weight of (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate is 313.09 g/mol.
Where can I buy (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate?
You can request a quote for (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethyl-1,2-oxazol-4-yl) 2-benzyl-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.