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Chemical structure of AN-12-H5 intermediate-3

GC72677

AN-12-H5 intermediate-3

Also known as methyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

AN-12-H5 intermediate-3 is an intermediate of the viral inhibitor AN-12-H5 and can be used to synthesize Antibody-Drug Conjugates (ADCs)

ChemicalCAS851314-03-9MW330.17FormulaC13H16BrNO4
CAS number
851314-03-9
Molecular weight
330.17
Formula
C13H16BrNO4
InChIKey
IJEPSKGWQSWFTQ-UHFFFAOYSA-N
Catalogue number
GC72677
Brand
GLPBIO
Computed properties PubChem CID 129286043 · XLogP 3.7 · TPSA 64.6 Ų · H-bond donors 1
XLogP
3.7
TPSA
64.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19

SMILES CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC

Computed descriptors from PubChem (CID 129286043), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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