Octanoic Acid N-Succinimidyl Ester - CAS 14464-30-3

Catalog:	BB009814
Product Name:	Octanoic Acid N-Succinimidyl Ester
CAS:	14464-30-3
Synonyms:	octanoic acid (2,5-dioxo-1-pyrrolidinyl) ester; (2,5-dioxopyrrolidin-1-yl) octanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	(2,5-dioxopyrrolidin-1-yl) octanoate
Description:	Octanoic Acid N-Succinimidyl Ester (CAS# 14464-30-3) is used in preparation of eliglustat and tartrate thereof.
Molecular Weight:	241.28
Molecular Formula:	C12H19NO4
Canonical SMILES:	CCCCCCCC(=O)ON1C(=O)CCC1=O
InChI:	InChI=1S/C12H19NO4/c1-2-3-4-5-6-7-12(16)17-13-10(14)8-9-11(13)15/h2-9H2,1H3
InChI Key:	PEJVSXYBFAVPAQ-UHFFFAOYSA-N
MDL:	MFCD00050404
LogP:	1.89200

Publication Number	Title	Priority Date
WO-2020194138-A1	An improved process for the preparation of eliglustat and its intermediate	20190322
CN-110878079-A	Preparation method of high-purity eliagliptat	20181231
CN-111217791-A	Ibrustat intermediate and preparation method thereof	20181127
WO-2020020365-A1	Method for preparing optically active eliglustat	20180727
WO-2020004535-A1	Sensor chip for high-sensitivity detection of cells, etc.	20180628

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Carbonyl Compounds

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Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.13140809
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.13140809
Rotatable Bond Count:	8
Topological Polar Surface Area:	63.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2