2230821-27-7

Name Gefitinib-based PROTAC 3
CAS 2230821-27-7
Molecular Formula C47H57ClFN7O8S
Molecular Weight 934.52
MOL File 2230821-27-7.mol
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Chemical Properties

Boiling point  1065.6±65.0 °C(Predicted)
density  1.300±0.06 g/cm3(Predicted)
storage temp.  4°C, away from moisture and light
solubility  DMF: 25 mg/ml; DMF:PBS (pH 7.2) (1:3): 0.25 mg/ml; DMSO: 16 mg/ml; Ethanol: 10 mg/ml
form  A crystalline solid
pka 14.07±0.40(Predicted)
color  Off-white to light yellow
InChIKey NICKHWYZMNLEPJ-OMWXADOMNA-N
SMILES N(C1C=CC(F)=C(Cl)C=1)C1=NC=NC2C=C(OC)C(OCCCCCOCCOCCC(=O)N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(=O)NCC3C=CC(C4=C(N=CS4)C)=CC=3)=O)=CC1=2 |&1:34,42,45,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

Hazard Information

Spectrum Detail

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