Br-PEG4-NHBoc - CAS 1392499-32-9

Name: Br-PEG4-NHBoc
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008913
Product Name:	Br-PEG4-NHBoc
CAS:	1392499-32-9
Synonyms:	t-Boc-N-amido-PEG4-bromide; Boc-NH-PEG4-Br; BocNH-PEG4-CH2CH2Br; N-Boc-PEG4-bromide; tert-butyl (14-bromo-3,6,9,12-tetraoxatetradecyl)carbamate; 5,8,11,14-Tetraoxa-2-azahexadecanoic acid, 16-bromo-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl (14-bromo-3,6,9,12-tetraoxatetradec-1-yl)carbamate; Carbamic acid, N-(14-bromo-3,6,9,12-tetraoxatetradec-1-yl)-, 1,1-dimethylethyl ester

Technical Data

IUPAC Name:	tert-butyl N-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
Description:	Br-PEG4-NHBoc is a PEG linker containing a bromide group and a Boc-protected amino group. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The Boc group can be deprotected under mild acidic conditions to form the free amine.
Molecular Weight:	400.31
Molecular Formula:	C15H30BrNO6
Canonical SMILES:	CC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr
InChI:	InChI=1S/C15H30BrNO6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13H2,1-3H3,(H,17,18)
InChI Key:	KYOVSWOWVSWAII-UHFFFAOYSA-N
Boiling Point:	459.3±40.0°C (Predicted)
Purity:	≥95%
Density:	1.223±0.06 g/cm3 (Predicted)
Solubility:	Soluble in DCM, DMSO
Appearance:	Pale Yellow Oily Matter
Storage:	Store at 2-8°C
LogP:	2.36330

Publication Number	Title	Priority Date
WO-2021116446-A1	Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting)	20191211
AU-2015293134-A1	Phenyl tetrahydroisoquinoline compound substituted with heteroaryl	20140725
AU-2015293134-B2	Phenyl tetrahydroisoquinoline compound substituted with heteroaryl	20140725
CA-2955572-A1	Phenyl tetrahydroisoquinoline compound substituted with heteroaryl	20140725
DK-3173408-T3	PHENYLTETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL	20140725

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	399.12565
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	399.12565
Rotatable Bond Count:	16
Topological Polar Surface Area:	75.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1