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Hydroxy-Amino-bis (PEG1-C2-Boc)

CAT: 0931-T15508-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15508-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1415800-34-8
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
Hydroxy-Amino-bis (PEG1-C2-Boc) is an alkyl/ether-based linker utilized in the synthesis of PROTACs [1].
Smiles
O=C(OC(C)(C)C)CCOCCN(CCO)CCOCCC(=O)OC(C)(C)C
Molecular Formula
C20H39NO7
Molecular Weight
405.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydroxy-Amino-bis(PEG1-C2-Boc)
CAS Number1415800-34-8
PubChem CID77078533
IUPAC Nametert-butyl 3-[2-[2-hydroxyethyl-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethyl]amino]ethoxy]propanoate
Molecular FormulaC20H39NO7
Molecular Weight405.5
XLogP0.9
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count28
Formal Charge0
Complexity403
SMILES
CC(C)(C)OC(=O)CCOCCN(CCO)CCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C20H39NO7/c1-19(2,3)27-17(23)7-13-25-15-10-21(9-12-22)11-16-26-14-8-18(24)28-20(4,5)6/h22H,7-16H2,1-6H3
InChIKey
OUIZBEKRHPKXAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-Amino-bis(PEG1-C2-Boc)
CAS: 1415800-34-8
CID: 77078533
Formula: C20H39NO7
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass405.27265258
Monoisotopic Mass405.27265258
Topological Polar Surface Area94.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity403
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