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Chemical structure of K145 hydrochloride

GC36372

K145 hydrochloride

Also known as (5Z)-3-(2-aminoethyl)-5-[3-(4-butoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride

A selective SPHK2 inhibitor

ChemicalCAS1449240-68-9MW384.92FormulaC18H25ClN2O3S
CAS number
1449240-68-9
Molecular weight
384.92
Formula
C18H25ClN2O3S
Solubility
Water： 126·7 mg/mL (329·16 mM and warming); DMSO： 50 mg/mL (129·90 mM)
InChIKey
HADFDMGQKBGVAV-NKBLJONXSA-N
Catalogue number
GC36372
Brand
GLPBIO
Computed properties PubChem CID 76849910 · TPSA 97.9 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
97.9 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
25

SMILES CCCCOC1=CC=C(C=C1)CC/C=C\2/C(=O)N(C(=O)S2)CCN.Cl

Computed descriptors from PubChem (CID 76849910), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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