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NH-bis (C1-PEG1-Boc)

CAT: 0931-T18480-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T18480-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2171072-53-8
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
NH-bis (C1-PEG1-Boc) is an alkyl/ether-based PROTAC linker used for PROTAC synthesis[1].
Smiles
CC(C)(C)OC(=O)CCOCC(N)COCCC(=O)OC(C)(C)C
Molecular Formula
C17H33NO6
Molecular Weight
347.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NH-bis(C1-PEG1-Boc)
CAS Number2171072-53-8
PubChem CID102325186
IUPAC Nametert-butyl 3-[2-amino-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propoxy]propanoate
Molecular FormulaC17H33NO6
Molecular Weight347.4
XLogP0.7
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity348
SMILES
CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)N
InChI
InChI=1S/C17H33NO6/c1-16(2,3)23-14(19)7-9-21-11-13(18)12-22-10-8-15(20)24-17(4,5)6/h13H,7-12,18H2,1-6H3
InChIKey
CILKOSHNGXUCTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NH-bis(C1-PEG1-Boc)
CAS: 2171072-53-8
CID: 102325186
Formula: C17H33NO6
MW: 347.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.4
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass347.23078777
Monoisotopic Mass347.23078777
Topological Polar Surface Area97.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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