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ZK824859 5mg

CAT: 0628-A18680-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A18680-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2271122-53-1

Chemical Information

(R)-2-((6-((3'-(Aminomethyl)-5-methyl-[1,1'-biphenyl]-3-yl)oxy)-3,5-difluoropyridin-2-yl)oxy)butanoic acid
CAS Number2271122-53-1
PubChem CID69496820
IUPAC Name(2R)-2-[[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid
Molecular FormulaC23H22F2N2O4
Molecular Weight428.4
XLogP2.3
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity584
SMILES
CC[C@H](C(=O)O)OC1=C(C=C(C(=N1)OC2=CC(=CC(=C2)C3=CC=CC(=C3)CN)C)F)F
InChI
InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
InChIKey
CVNXUNVHFJANHX-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-((6-((3'-(Aminomethyl)-5-methyl-[1,1'-biphenyl]-3-yl)oxy)-3,5-difluoropyridin-2-yl)oxy)butanoic acid
CAS: 2271122-53-1
CID: 69496820
Formula: C23H22F2N2O4
MW: 428.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass428.15476351
Monoisotopic Mass428.15476351
Topological Polar Surface Area94.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-114330ZK824859
T62961-01ZK824859 hydrochloride
HY-114330A-01ZK824859 (hydrochloride)
T13409L-01ZK824859 hydrochloride (2271122-53-1 free base)

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