CGP-19984 free acid structure

CGP-19984 free acid

methyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] hydrogen phosphate

Also Known As: CGP-19984 free acid|Phosphoric acid, monomethyl mono(3-methyl-2-((5-methyl-3-(2-methyl-2-propenyl)-4-oxo-2-thiazolidinylidene)hydrazono)-4-oxo-5-thiazolidinyl) ester

CAS: 87958-63-2
Molecular Formula C13H19N4O6PS2
Molecular Weight 422.04837 g/mol
LogP 1.6
Topological Polar Surface Area 172.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 6
Exact Mass 422.04837
Monoisotopic Mass 422.04837
Heavy Atoms 26
Complexity 742.0

Chemical Identifiers

CAS Number 87958-63-2
SMILES CC1C(=O)N(C(=NN=C2N(C(=O)C(S2)OP(=O)(O)OC)C)S1)CC(=C)C
InChIKey ODWWLZZJQZIJGP-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (2 patents) Organometallic Reagents (2 patents) Pharmaceutical Intermediates (4 patents)

Product Overview

CGP-19984 free acid (CAS 87958-63-2), with molecular formula C13H19N4O6PS2 and molecular weight 422.04837 g/mol. IUPAC: methyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] hydrogen phosphate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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