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SphK1&2-IN-1

CAT: 0127-BUP03641-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03641-01Size:5 mg
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CAS Number
1415662-57-5
Purity
=98%
Smiles
O(C)C1=C(OC)C=CC(/C=C/C(NC2=NC=CS2)=O)=C1

Chemical Information

SphK1&2-IN-1
CAS Number1415662-57-5
PubChem CID897895
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
Molecular FormulaC14H14N2O3S
Molecular Weight290.34
XLogP2.5
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity351
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC=CS2)OC
InChI
InChI=1S/C14H14N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3-9H,1-2H3,(H,15,16,17)/b6-4+
InChIKey
SMRXKMFZQYOXSX-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of SphK1&2-IN-1
CAS: 1415662-57-5
CID: 897895
Formula: C14H14N2O3S
MW: 290.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.34
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass290.07251349
Monoisotopic Mass290.07251349
Topological Polar Surface Area88.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T9992-01SphK1&2-IN-1
MBS5806502SphK1-IN-2
MBS5804657SphK1-IN-1
042228SPHK1, ID (SPHK1, SPHK, SPK, Sphingosine kinase 1)
577632-01SPHK1
P18626POTB7-SPHK1-2 (human)
225996-01SPHK1 (SK 1, SK1, Sphingosine Kinase 1, SPHK 1, SPHK, Sphk1, SPHK1, SPK, SPK 1, SPK1) discontinued
PVT28527pOTB7-SPHK1-2 Plasmid
MBS623410-01SPHK1 (Sphingosine kinase 1)
142344Sphingosine Kinase 1 (SPHK1)

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