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HZ52

CAT: 0013-GTR19201568-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201568-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HZ52
CAS Number
1077626-51-7
Field of Research
Metabolism Research
Smiles
N (C1=NC (SC (CCCCCC) C (O) =O) =NC (Cl) =C1) C2=CC=C (C=C2) C3=CC=CC=C3
Molecular Formula
C24H26ClN3O2S
Molecular Weight
456
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-Chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulfanyloctanoic acid

HZ52 is a member of biphenyls.

CAS Number1077626-51-7
PubChem CID25179909
IUPAC Name2-[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulfanyloctanoic acid
Molecular FormulaC24H26ClN3O2S
Molecular Weight456.0
XLogP8
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity527
SMILES
CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H26ClN3O2S/c1-2-3-4-8-11-20(23(29)30)31-24-27-21(25)16-22(28-24)26-19-14-12-18(13-15-19)17-9-6-5-7-10-17/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)
InChIKey
MLNIGXYHGQLWLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-Chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulfanyloctanoic acid
CAS: 1077626-51-7
CID: 25179909
Formula: C24H26ClN3O2S
MW: 456.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.0
XLogP38
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass455.1434259
Monoisotopic Mass455.1434259
Topological Polar Surface Area100 Ų
Heavy Atom Count31
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T21962-01HZ52

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