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Biotin-C1-PEG3-C3-amine TFA

CAT: 0013-GTR19225886-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225886-01Size:100 mg
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Description
Biotin-C1-PEG3-C3-amine (TFA) is a PEG-based bifunctional linker essential for constructing PROTAC molecules. It is widely used in chemical biology and drug discovery research, facilitating the synthesis of compounds for both in vitro and in vivo studies of targeted protein degradation.
CAS Number
1334172-59-6
Field of Research
Immunology & Inflammation; Cell Biology, Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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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