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5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol structure
Fine Chemical

5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol

TL;DR: 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol (CAS 1015845-72-3) is a chemical compound with molecular formula C20H14F3N3O4 and molecular weight 417.09363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-methoxy-2-[4-(1-phenylpyrazol-4-yl)oxy-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

Also Known As: 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol, (6E)-3-methoxy-6-[4-(1-phenylpyrazol-4-yl)oxy-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one, 3-methoxy-6-[4-(1-phenylpyrazol-4-yl)oxy-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one, 5-Methoxy-2-{4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-1,2-oxazol-5-yl}phenol

CAS Number
1015845-72-3
Molecular Formula
C20H14F3N3O4
Molecular Weight
417.09363 g/mol
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Technical Specifications

Molecular FormulaC20H14F3N3O4
Molecular Weight417.09363 g/mol
XLogP4.1
Topological Polar Surface Area (TPSA)82.5 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors9
Rotatable Bonds5
Exact Mass417.09363 Da
Heavy Atoms30
Complexity564.0
SMILESCOC1=CC(=C(C=C1)C2=C(C(=NO2)C(F)(F)F)OC3=CN(N=C3)C4=CC=CC=C4)O
InChIKeyCJCLIWVXZRYQOF-UHFFFAOYSA-N

Chemical Property Profile of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol

XLogP
4.1
TPSA (Topological Polar Surface Area)
82.5
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
Rotatable Bonds
5
Heavy Atoms
30
Complexity
564.0
Exact Mass
417.09363
Monoisotopic Mass
417.09363
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol

The XLogP value of 4.1 indicates that 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol. Following Lipinski's Rule of Five, 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol?

The CAS number of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol is 1015845-72-3.

What is the molecular formula of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol?

The molecular formula of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol is C20H14F3N3O4.

What is the molecular weight of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol?

The molecular weight of 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol is 417.09363 g/mol.

Where can I buy 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol?

You can request a quote for 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol?

Yes, CoreyChem provides custom synthesis services for 5-Methoxy-2-[4-[(1-phenyl-1H-pyrazol-4-yl)oxy]-3-(trifluoromethyl)-5-isoxazolyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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