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Verinurad

CAS No.:
1352792-74-5
Catalog Number:
AG009CKM
Molecular Formula:
C20H16N2O2S
Molecular Weight:
348.4182
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$223
- +
50mg
99%
1 week
United States
$404
- +
Product Description
Catalog Number:
AG009CKM
Chemical Name:
Verinurad
CAS Number:
1352792-74-5
Molecular Formula:
C20H16N2O2S
Molecular Weight:
348.4182
MDL Number:
MFCD28963965
IUPAC Name:
2-[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl-2-methylpropanoic acid
InChI:
InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)
InChI Key:
YYBOLPLTQDKXPM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C
UNII:
12WJ62D047
Properties
Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.093g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
348.42g/mol
Monoisotopic Mass:
348.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties