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Tos-O-C4-NH-Boc

CAT: 0013-GTR19189846Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189846Size:200 mg
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Description
Tos-O-C4-NH-Boc is an alkyl ether-based linker utilized in the construction of PROTACs for targeted protein degradation research. This chemical tool is employed in both in vitro and in vivo experimental settings to develop novel therapeutic strategies in oncology and other disease areas.
CAS Number
180851-50-7
Product Name Alternative
TosOC4NHBoc, Tos-O-C-4-NH-Boc, Tos-O-C4-NH-Boc, Tos O C4 NH Boc
Field of Research
Pharmacology & Drug Discovery
Purity
99.37% (May vary between batches)
Solubility
DMSO:80 mg/mL (232.94 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (9.61 mM)
Smiles
O=C (OC (C) (C) C) NCCCCOS (=O) (=O) C1=CC=C (C=C1) C
Molecular Formula
C16H25NO5S
Molecular Weight
343.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Toluene-4-sulfonic acid 4-tert-butoxy-carbonylamino-butyl ester
CAS Number180851-50-7
PubChem CID22727514
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl 4-methylbenzenesulfonate
Molecular FormulaC16H25NO5S
Molecular Weight343.4
XLogP3
Topological Polar Surface Area90.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity456
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C16H25NO5S/c1-13-7-9-14(10-8-13)23(19,20)21-12-6-5-11-17-15(18)22-16(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)
InChIKey
WBSGGWFVABZVGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Toluene-4-sulfonic acid 4-tert-butoxy-carbonylamino-butyl ester
CAS: 180851-50-7
CID: 22727514
Formula: C16H25NO5S
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass343.14534407
Monoisotopic Mass343.14534407
Topological Polar Surface Area90.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity456
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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