Chemical Property of 4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Melting Point:237-239°C
- Boiling Point:612.122°C at 760 mmHg
- PKA:3.96±0.10(Predicted)
- Flash Point:324°C
- PSA：123.66000
- Density:1.571g/cm3
- LogP:4.68480
- Storage Temp.:-20°C Freezer
- Solubility.:DMSO (Slightly), Methanol (Slightly)
- XLogP3:2.6
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:9
- Rotatable Bond Count:4
- Exact Mass:411.05006153
- Heavy Atom Count:28
- Complexity:666
- Purity/Quality:
-
97% *data from raw suppliers
Celecoxib Carboxylic Acid *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O
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Uses
A metabolite of Celebrex, a Cox-2 inhibitor Celecoxib Carboxylic Acid is a metabolite of Celecoxib (C251000), a Cox-2 inhibitor.
