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Tfap

CAS No.:
1011244-68-0
Catalog Number:
AG01EB2M
Molecular Formula:
C13H10F3N3O
Molecular Weight:
281.2332
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$251
- +
50mg
99%
1 week
United States
$737
- +
100mg
99%
1 week
United States
$1154
- +
Product Description
Catalog Number:
AG01EB2M
Chemical Name:
Tfap
CAS Number:
1011244-68-0
Molecular Formula:
C13H10F3N3O
Molecular Weight:
281.2332
MDL Number:
MFCD12463359
IUPAC Name:
N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamide
InChI:
InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)
InChI Key:
BTCFFMPDIBWZLF-UHFFFAOYSA-N
SMILES:
Nc1ccc(nc1)NC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.078g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.238g/mol
Monoisotopic Mass:
281.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
[Significance and creation of novel cyclooxygenase-1 (COX-1) selective inhibitors]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20110301
Identification of urine metabolites of TFAP, a cyclooxygenase-1 inhibitor. Bioorganic & medicinal chemistry letters 20100315
Cyclooxygenase-1-selective inhibitors are attractive candidates for analgesics that do not cause gastric damage. design and in vitro/in vivo evaluation of a benzamide-type cyclooxygenase-1 selective inhibitor. Journal of medicinal chemistry 20080424
Properties