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Biotin-C1-PEG3-C3-amine TFA

CAT: 0931-T17546-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17546-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334172-59-6
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
Biotin-C1-PEG3-C3-amine (TFA) is a polyethylene glycol (PEG) linker essential for the synthesis of proteolysis targeting chimeras (PROTACs) [1].
Smiles
OC(=O)C(F)(F)F.[H][C@]12CS[C@@H](CCCCC(=O)CCCOCCOCCOCCCN)[C@@]1([H])NC(=O)N2
Molecular Formula
C22H38F3N3O7S
Molecular Weight
545.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Biotin-Teg-Nh2 Tfa
CAS Number1334172-59-6
PubChem CID9981025
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
Molecular FormulaC20H38N4O5S
Molecular Weight446.6
XLogP-0.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count30
Formal Charge0
Complexity500
SMILES
C1C2C(C(S1)CCCCC(=O)NCCCOCCOCCOCCCN)NC(=O)N2
InChI
InChI=1S/C20H38N4O5S/c21-7-3-9-27-11-13-29-14-12-28-10-4-8-22-18(25)6-2-1-5-17-19-16(15-30-17)23-20(26)24-19/h16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26)
InChIKey
XNGTVIOREZIKAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Biotin-Teg-Nh2 Tfa
CAS: 1334172-59-6
CID: 9981025
Formula: C20H38N4O5S
MW: 446.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.6
XLogP3-0.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass446.25629150
Monoisotopic Mass446.25629150
Topological Polar Surface Area149 Ų
Heavy Atom Count30
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-133403ABiotin-C1-PEG3-C3-amine (TFA)
GTR19225886-01Biotin-C1-PEG3-C3-amine TFA
HY-141182TCO-C3-PEG3-C3-amine
HY-139227-01Thalidomide 4'-oxyacetamide-C1-PEG3-C3-amine (hydrochloride)
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MBS5799855N-Boc-C1-PEG3-C3-NH2
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