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1208319-26-9

Name Oclacitinib
CAS 1208319-26-9
EINECS(EC#) 950-980-7
Molecular Formula C15H23N5O2S
MDL Number MFCD25976611
Molecular Weight 337.44
MOL File 1208319-26-9.mol

Chemical Properties

Melting point  226-228°C
density  1.316±0.06 g/cm3(Predicted)
vapor pressure  0Pa at 20-25℃
storage temp.  Refrigerator, Under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated)
form  Solid
pka 11.59±0.40(Predicted)
color  Off-White to Pale Beige
InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
InChIKey HJWLJNBZVZDLAQ-HAQNSBGRSA-N
SMILES [C@@H]1(CS(NC)(=O)=O)CC[C@@H](N(C)C2N=CN=C3NC=CC3=2)CC1
LogP 1.38 at 35℃ and pH7

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