210825-31-3

Name CP-424,174
CAS 210825-31-3
Molecular Formula C22H29ClN2O4S
MDL Number MFCD30537538
Molecular Weight 452.99
MOL File 210825-31-3.mol

Chemical Properties

density  1?+-.0.06 g/cm3(Predicted)
storage temp.  room temp
solubility  DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS (pH 7.2) (1:5): 0.16 mg/ml
form  powder
pka 4.67±0.10(Predicted)
color  white to beige
InChI 1S/C22H29ClN2O4S/c1-13(2)18-11-16(23)12-19(14(3)4)20(18)24-21(26)25-30(28,29)17-9-7-8-15(10-17)22(5,6)27/h7-14,27H,1-6H3,(H2,24,25,26)
InChIKey YRSBLSHMKVQWHP-UHFFFAOYSA-N
SMILES CC(O)(C)C1=CC(S(=O)(NC(NC2=C(C(C)C)C=C(Cl)C=C2C(C)C)=O)=O)=CC=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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