Desmethyl Celecoxib

Base Information

Chemical Name:Desmethyl Celecoxib
CAS No.:170569-87-6
Molecular Formula:C16H12F3N3O2S
Molecular Weight:367.351
Hs Code.:
UNII:228KL4J7NY
ChEMBL ID:CHEMBL29920
Nikkaji Number:J1.433.883G
Pharos Ligand ID:1DLY3BPUC1TJ
Mol file:170569-87-6.mol

Synonyms:Desmethyl Celecoxib;170569-87-6;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-(5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide;CHEMBL29920;Benzenesulfonamide, 4-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-;1-HEXADECANOYL-2-(P-NITROPHENOXYSUCCINOYL)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE;4-(5-Phenyl-3-trifluoromethyl-1H-pyrazol-1-yl)benzenesulfonamide;4-[5-phenyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide;CAY10452;Celecoxib impurity 3;SCHEMBL213784;228KL4J7NY;MQPLMBSDWYIIID-UHFFFAOYSA-N;BCP34247;VGA56987;BDBM50057518;CAY-10452;AKOS028111806;MS-25877;HY-118139;CS-0065275;S0761;F75899;4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide;4-[5-Phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Suppliers and Price of Desmethyl Celecoxib

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

DC Chemicals
DesmethylCelecoxib
002
$ 1450.00

DC Chemicals
DesmethylCelecoxib
001
$ 850.00

ChemScene
DesmethylCelecoxib 99.09%
100mg
$ 250.00

ChemScene
DesmethylCelecoxib 99.09%
50mg
$ 150.00

ChemScene
DesmethylCelecoxib 99.09%
10mg
$ 50.00

ChemScene
DesmethylCelecoxib 99.09%
25mg
$ 90.00

Cayman Chemical
CAY10452 ≥98%
5mg
$ 81.00

Cayman Chemical
CAY10452 ≥98%
1mg
$ 25.00

Cayman Chemical
CAY10452 ≥98%
10mg
$ 138.00

Cayman Chemical
CAY10452 ≥98%
25mg
$ 294.00

Total 13 raw suppliers

Chemical Property of Desmethyl Celecoxib

Chemical Property:

Melting Point:158-160 °C(Solv: ethanol (64-17-5))
Boiling Point:522.5±60.0 °C(Predicted)
PKA:9.68±0.10(Predicted)
PSA：86.36000
Density:1.46±0.1 g/cm3(Predicted)
LogP:4.98660
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:367.06023229
Heavy Atom Count:25
Complexity:550

Purity/Quality:

97% ^*data from raw suppliers

DesmethylCelecoxib ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Uses Desmethyl Celecoxib is an impurity of Celecoxib (C251000) which is a selective cyclooxygenase-2 (COX-2) inhibitor with anti-inflammatory activities. Celecoxib is used in treatment of familial adenomatous polyposis.

Technology Process of Desmethyl Celecoxib

There total 12 articles about Desmethyl Celecoxib which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%