Boc-NH-O-C1-NHS ester

CAT: 0013-GTR19154941-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19154941-01Size:100 mg

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Description

Boc-NH-O-C1-NHS ester is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs.

CAS Number

80366-85-4

Purity

>98% (HPLC)

Solubility

DMSO:10 mM

Smiles

O=C1CCC (N1OC (CONC (OC (C) (C) C) =O) =O) =O

Molecular Formula

C11H16N2O7

Molecular Weight

288.25

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Agn-PC-0nhs59

CAS Number	80366-85-4
PubChem CID	12098210
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetate
Molecular Formula	C11H16N2O7
Molecular Weight	288.25
XLogP	0
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	411

SMILES

CC(C)(C)OC(=O)NOCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C11H16N2O7/c1-11(2,3)19-10(17)12-18-6-9(16)20-13-7(14)4-5-8(13)15/h4-6H2,1-3H3,(H,12,17)

InChIKey

ZZBOTLREHORFCK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80366-85-4

CID: 12098210

Formula: C11H16N2O7

MW: 288.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	288.25
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	288.09575085
Monoisotopic Mass	288.09575085
Topological Polar Surface Area	111 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	411
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BUP14214	Boc-NH-O-C1-NHS ester
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BUP14037-01	Boc-NH-PEG3-NHS ester
HY-138441	Boc-NH-PEG11-NHS ester
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OR1038758-01	Propargyl-PEG4-O-C1-NHS ester
A9033-25	Propargyl-C1-NHS ester
abx085125-01	BOC-NH-PEG-NHS

Boc-NH-O-C1-NHS ester

Chemical Information

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