[(2S,3S)-8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

CAS: 96125-53-0

Molecular Formula	`C22H25ClN2O4S`
Molecular Weight	449.0 g/mol
LogP	3.7
Topological Polar Surface Area	84.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	448.12234
Heavy Atoms	30
Complexity	600.0

Chemical Identifiers

CAS Number	96125-53-0
SMILES	`CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC`
InChIKey	`GYKFWCDBQAFCLJ-RTWAWAEBSA-N`

📖 Product Overview

[(2S,3S)-8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate (CAS: 96125-53-0) is a chemical compound with molecular formula C22H25ClN2O4S and molecular weight 449.0 g/mol. Its IUPAC systematic name is [(2S,3S)-8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate. LogP 3.7 Topological Polar Surface Area 84.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 448.12234 Heavy Atoms 30 Complexity 600.0 InChI Key: GYKFWCDBQAFCLJ-RTWAWAEBSA-N. SMILES: CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.

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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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(2S,3S)-8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate.

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