Products for Research Use Only
RegisterLogin

Febuxostat impurity 8

CAT: 0931-T73968-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T73968-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
144060-62-8
Target
Drug Metabolite, Others
Related Pathways
Metabolism, Others
Bioactivity
Febuxostat impurity 8 is an impurity of Febuxostat, a selective xanthine oxidase inhibitor with a K i of 0.6 nM [1].
Smiles
CC(C)COc1ccc(cc1C=O)-c1nc(C)c(s1)C(O)=O
Molecular Formula
C16H17NO4S
Molecular Weight
319.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3-Formyl-4-(2-methylpropoxy)phenyl)-4-methyl-5-thiazolecarboxylic acid
CAS Number144060-62-8
PubChem CID19965145
IUPAC Name2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Molecular FormulaC16H17NO4S
Molecular Weight319.4
XLogP3.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity404
SMILES
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C=O)C(=O)O
InChI
InChI=1S/C16H17NO4S/c1-9(2)8-21-13-5-4-11(6-12(13)7-18)15-17-10(3)14(22-15)16(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKey
OHIQHHXCAMMCPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Formyl-4-(2-methylpropoxy)phenyl)-4-methyl-5-thiazolecarboxylic acid
CAS: 144060-62-8
CID: 19965145
Formula: C16H17NO4S
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass319.08782920
Monoisotopic Mass319.08782920
Topological Polar Surface Area105 Ų
Heavy Atom Count22
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T73971-01Febuxostat amide impurity
T73969-01Febuxostat impurity 6
T73967-01Febuxostat impurity 7
T73970-01Febuxostat dicarboxylic acid impurity
T0773-01Febuxostat
T69247-01Febuxostat hemihydrate
T61060-01Febuxostat sodium
TMIJ-0161-01Febuxostat-d7
T11270-01Febuxostat D9
T69281-01Febuxostat 67M-4

Alternative Products

CatalogName
RM-F022401-01Febuxostat Impurity A
RM-F022486-01Febuxostat Impurity 60
RM-F022460-01Febuxostat Impurity 34
RM-F022413-01Febuxostat Impurity M
RM-F022426-01Febuxostat Impurity Z
RM-F022436-01Febuxostat Impurity Z10
RM-F022437-01Febuxostat Impurity Z11
RM-F022439-01Febuxostat Impurity Z13
RM-F022441-01Febuxostat Impurity Z15
RM-F022488-01Febuxostat Impurity 62

Popular Products