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Biotin-PEG3-Me-Tet

CAT: 0013-GTR19234275-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234275-01Size:25 mg
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Description
Biotin-PEG3-Me-Tet is an ADC linker designed for bioorthogonal conjugation via iEDDA click chemistry, reacting specifically with TCO groups. This enables precise labeling and construction of bioconjugates for applications in targeted drug delivery, in vitro diagnostics, and in vivo imaging research.
CAS Number
2143968-06-1
Field of Research
Cell Biology
Smiles
C (CCCC (NCCOCCOCCOCCC (NCC1=CC=C (C=C1) C=2N=NC (C) =NN2) =O) =O) [C@H]3[C@@]4 ([C@] (CS3) (NC (=O) N4) [H]) [H]
Molecular Formula
C29H42N8O6S
Molecular Weight
630.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Biotin-PEG3-Me-Tet
CAS Number2143968-06-1
PubChem CID168442068
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC29H42N8O6S
Molecular Weight630.8
XLogP-0.9
Topological Polar Surface Area204
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count44
Formal Charge0
Complexity875
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4
InChI
InChI=1S/C29H42N8O6S/c1-20-34-36-28(37-35-20)22-8-6-21(7-9-22)18-31-26(39)10-12-41-14-16-43-17-15-42-13-11-30-25(38)5-3-2-4-24-27-23(19-44-24)32-29(40)33-27/h6-9,23-24,27H,2-5,10-19H2,1H3,(H,30,38)(H,31,39)(H2,32,33,40)/t23-,24-,27-/m0/s1
InChIKey
CJVUSGLIHMFDML-DPZBCOQUSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG3-Me-Tet
CAS: 2143968-06-1
CID: 168442068
Formula: C29H42N8O6S
MW: 630.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.8
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass630.29480226
Monoisotopic Mass630.29480226
Topological Polar Surface Area204 Ų
Heavy Atom Count44
Formal Charge0
Complexity875
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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