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Biotin-PFP ester

CAT: 0931-T14612-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T14612-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120550-35-8
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Biotin-PFP ester, an alkyl/ether-based PROTAC linker, serves as a valuable component in the synthesis of PROTACs[1].
Smiles
C(CCCC(OC1=C(F)C(F)=C(F)C(F)=C1F)=O)[C@H]2[C@@]3([C@@](NC(=O)N3)(CS2)[H])[H]
Molecular Formula
C16H15F5N2O3S
Molecular Weight
410.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pentafluorophenyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno(3,4-d)imidazol-4-yl)pentanoate
CAS Number120550-35-8
PubChem CID11122445
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Molecular FormulaC16H15F5N2O3S
Molecular Weight410.4
XLogP2.7
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity558
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)NC(=O)N2
InChI
InChI=1S/C16H15F5N2O3S/c17-9-10(18)12(20)15(13(21)11(9)19)26-8(24)4-2-1-3-7-14-6(5-27-7)22-16(25)23-14/h6-7,14H,1-5H2,(H2,22,23,25)/t6-,7-,14-/m0/s1
InChIKey
DKTMDBQDSYQUEV-LEJLMFORSA-N
Chemical Structure
2D Structure
2D structure of Pentafluorophenyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno(3,4-d)imidazol-4-yl)pentanoate
CAS: 120550-35-8
CID: 11122445
Formula: C16H15F5N2O3S
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass410.07235433
Monoisotopic Mass410.07235433
Topological Polar Surface Area92.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity558
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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CatalogName
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T15993Mal-PEG4-PFP ester
T15526-01Hydroxy-PEG3-PFP ester
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T14633-01Bis-PEG2-PFP ester
T17631-01Bis-PEG9-PFP ester

Alternative Products

CatalogName
572008Biotin-PFP ester
abx181383-01(+)-Biotin-PFP-ester
sc-475997(+) -Biotin-PFP-ester
MBS5770452Biotin-PEG36-PFP ester
BIPG1233Biotin-PEG4-PFP ester
HY-140937Biotin-amido-PEG4-PFP ester
235541-01(+) -Biotin-PFP-ester 98+% (HPLC)
MBS5799383Mal-PFP ester
VXC67342Hydroxy-PEG2-PFP ester
LKB20960Cyclooctyne-o-pfp ester

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