t-boc-N-amido-PEG5-alcohol - CAS 1404111-67-6

Name: t-boc-N-amido-PEG5-alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009067
Product Name:	t-boc-N-amido-PEG5-alcohol
CAS:	1404111-67-6
Synonyms:	NHBoc-PEG5-OH; N-Boc-PEG5-alcohol; tert-Butyl (14-hydroxy-3,6,9,12-tetraoxatetradecyl)carbamate; Boc-NH-PEG5-OH; 5,8,11,14-Tetraoxa-2-azahexadecanoic acid, 16-hydroxy-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl (14-hydroxy-3,6,9,12-tetraoxatetradec-1-yl)carbamate; Carbamic acid, N-(14-hydroxy-3,6,9,12-tetraoxatetradec-1-yl)-, 1,1-dimethylethyl ester

Technical Data

Related CAS:	159156-95-3 (polymer)
IUPAC Name:	tert-butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
Description:	t-boc-N-amido-PEG5-alcohol is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).
Molecular Weight:	337.41
Molecular Formula:	C15H31NO7
Canonical SMILES:	CC(C)(C)OC(=O)NCCOCCOCCOCCOCCO
InChI:	InChI=1S/C15H31NO7/c1-15(2,3)23-14(18)16-4-6-19-8-10-21-12-13-22-11-9-20-7-5-17/h17H,4-13H2,1-3H3,(H,16,18)
InChI Key:	PBWLVPPLXJCLBC-UHFFFAOYSA-N
Boiling Point:	451.5±40.0°C (Predicted)
Purity:	>95%
Density:	1.083±0.06 g/cm3 (Predicted)
Solubility:	Soluble in DCM, Methanol
Appearance:	Pale Yellow Oily Liquid
Storage:	Store at 2-8°C
LogP:	0.96070

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113480453-A	Synthesis method of NH2-PEG5-NHBoc	20210809
JP-2020186182-A	Target proteolysis-inducing compound	20190510
US-2020239430-A1	Bi-functional compounds and methods for targeted ubiquitination of androgen receptor	20190130
US-11098025-B2	Bi-functional compounds and methods for targeted ubiquitination of androgen receptor	20190130
US-2021292298-A1	Bi-functional compounds and methods for targeted ubiquitination of androgen receptor	20190130

Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	337.21005233
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	337.21005233
Rotatable Bond Count:	16
Topological Polar Surface Area:	95.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3