IUPAC Name: | methyl 8-chloro-8-oxooctanoate |
Description: | Methyl 8-chloro-8-oxooctanoate (CAS# 41624-92-4) is used as a reagent in the synthesis of β-cyclodextrin-6-deoxy-6-NHC(O)(CH2)6C(O)NHOH which is a β-cyclodextrin-capped histone deacetylase inhibitor that may have potential for use in treatment of cancers and inflammatory diseases. It is also used in one synthetic route for tubacin which is a known anticancer agent. |
Molecular Weight: | 206.67 |
Molecular Formula: | C9H15ClO3 |
Canonical SMILES: | COC(=O)CCCCCCC(=O)Cl |
InChI: | InChI=1S/C9H15ClO3/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3 |
InChI Key: | RKUPOLBFJIEWBZ-UHFFFAOYSA-N |
Density: | 1.456 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00134649 |
LogP: | 2.26540 |
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