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N-Mal-N-bis (PEG4-amine)

CAT: 0931-T16232-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T16232-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2128735-22-6
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
N-Mal-N-bis (PEG4-amine) is a PEG-based linker used in PROTAC synthesis [1].
Smiles
O=C1C=CC(=O)N1CCC(=O)N(CCOCCOCCOCCOCCN)CCOCCOCCOCCOCCN
Molecular Formula
C27H50N4O11
Molecular Weight
606.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Mal-N-bis(PEG4-amine)
CAS Number2128735-22-6
PubChem CID129627644
IUPAC NameN,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
Molecular FormulaC27H50N4O11
Molecular Weight606.7
XLogP-4.1
Topological Polar Surface Area184
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count31
Heavy Atom Count42
Formal Charge0
Complexity682
SMILES
C1=CC(=O)N(C1=O)CCC(=O)N(CCOCCOCCOCCOCCN)CCOCCOCCOCCOCCN
InChI
InChI=1S/C27H50N4O11/c28-4-9-35-13-17-39-21-23-41-19-15-37-11-7-30(25(32)3-6-31-26(33)1-2-27(31)34)8-12-38-16-20-42-24-22-40-18-14-36-10-5-29/h1-2H,3-24,28-29H2
InChIKey
BDXSPBURFXDTTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Mal-N-bis(PEG4-amine)
CAS: 2128735-22-6
CID: 129627644
Formula: C27H50N4O11
MW: 606.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.7
XLogP3-4.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count31
Exact Mass606.34760842
Monoisotopic Mass606.34760842
Topological Polar Surface Area184 Ų
Heavy Atom Count42
Formal Charge0
Complexity682
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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