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A 63162

CAT: 0931-T26427-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26427-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111525-11-2
Target
Others, Lipoxygenase, Leukotriene Receptor
Related Pathways
Metabolism, GPCR/G Protein, Others
Bioactivity
A 63162 is an inhibitor of 5-lipoxygenase.
Smiles
C(N(C(C)=O)O)(C)C1=CC=C(OCC2=CC=CC=C2)C=C1
Molecular Formula
C17H19NO3
Molecular Weight
285.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A-63162

structure given in first source

CAS Number111525-11-2
PubChem CID121876
IUPAC NameN-hydroxy-N-[1-(4-phenylmethoxyphenyl)ethyl]acetamide
Molecular FormulaC17H19NO3
Molecular Weight285.34
XLogP2.6
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity320
SMILES
CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)N(C(=O)C)O
InChI
InChI=1S/C17H19NO3/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3
InChIKey
FSUFUKQWXOFBDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-63162
CAS: 111525-11-2
CID: 121876
Formula: C17H19NO3
MW: 285.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.34
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass285.13649347
Monoisotopic Mass285.13649347
Topological Polar Surface Area49.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity320
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
MBS5776162A 63162

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