1-Cbz-3-Hydroxyazetidine - CAS 128117-22-6

Catalog:	BB006875
Product Name:	1-Cbz-3-Hydroxyazetidine
CAS:	128117-22-6
Synonyms:	N-cbz-3-hydroxyazetidine; 1-N-Cbz-3-Hydroxyazetidine; 1-benzyloxycarbonyl-3-hydroxyazetidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	Benzyl 3-hydroxyazetidine-1-carboxylate
Description:	1-Cbz-3-Hydroxyazetidine is a non-cleavable ADC linker and also an alkyl chain-based PROTAC linker.
Molecular Weight:	207.23
Molecular Formula:	C11H13NO3
Canonical SMILES:	C1C(CN1C(=O)OCC2=CC=CC=C2)O
InChI:	InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChI Key:	XJWSNDGCJMGHSR-UHFFFAOYSA-N
Boiling Point:	356.7±42.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm3
Appearance:	White powder
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD09037849
LogP:	0.93760

Publication Number	Title	Priority Date
WO-2021207172-A1	Compounds and methods for targeted degradation of kras	20200406
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WO-2021148420-A1	Novel heterocyclic compounds	20200122
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WO-2021079984-A1	Novel substituted condensed ring compound	20191025

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.08954328
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8