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Alogabat

CAT: 0127-OR1065263-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1065263-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230009-48-8
Purity
99%
Smiles
O=C(C1=NN=C(OCC2=C(C)ON=C2C3=CC=C(C)N=C3)C=C1)NC4CCOCC4

Chemical Information

Alogabat
CAS Number2230009-48-8
PubChem CID134588268
IUPAC Name6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
Molecular FormulaC21H23N5O4
Molecular Weight409.4
XLogP1.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity562
SMILES
CC1=NC=C(C=C1)C2=NOC(=C2COC3=NN=C(C=C3)C(=O)NC4CCOCC4)C
InChI
InChI=1S/C21H23N5O4/c1-13-3-4-15(11-22-13)20-17(14(2)30-26-20)12-29-19-6-5-18(24-25-19)21(27)23-16-7-9-28-10-8-16/h3-6,11,16H,7-10,12H2,1-2H3,(H,23,27)
InChIKey
ACZCJTHHWMBFKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alogabat
CAS: 2230009-48-8
CID: 134588268
Formula: C21H23N5O4
MW: 409.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass409.17500423
Monoisotopic Mass409.17500423
Topological Polar Surface Area112 Ų
Heavy Atom Count30
Formal Charge0
Complexity562
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

Alternative Products

CatalogName
BA6674-5.1Alogabat

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