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2,2-Dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-yl 4-methylbenzenesulfonate - 95%, high purity , CAS No.1246999-33-6

COA

Grade & Purity:

≥95%

Cas Number: 1246999-33-6
Molecular Weight: 447.54
PubChem CID: 23501737

In stock

Item Number

D586764

Grouped product items
SKU	Size	Availability	Price
D586764-100mg	100mg	2	$25.90
D586764-250mg	250mg	2	$40.90
D586764-1g	1g	1	$114.90
D586764-5g	5g	1	$399.90

View related series

PROTAC (2077) PROTAC Linkers (1898)

Basic Description

Synonyms	5,8,11-Trioxa-2-azatridecanoic acid, 13-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester \| 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate \| MFCD27635161 \| 2-[2-[2-[2-(Boc-amino)ethoxy]ethoxy]
Specifications & Purity	≥95%
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Application: Boc-NH-PEG3-Tos is a monodisperse PEG linker, which can act as PROTAC linkers. PROTACs contain two different ligands linked by a linker; one for the E3 ubiquitin ligase and the other for the target protein. PROTACs use the intracellular ubiquitin-proteasome system to selectively degrade the target protein.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonate esters
Alternative Parents	p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Carbamate esters Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Dialkyl ether - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
INCHI	InChI=1S/C20H33NO8S/c1-17-5-7-18(8-6-17)30(23,24)28-16-15-27-14-13-26-12-11-25-10-9-21-19(22)29-20(2,3)4/h5-8H,9-16H2,1-4H3,(H,21,22)
InChIKey	NWLAEQSWDZYPBV-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCNC(=O)OC(C)(C)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCNC(=O)OC(C)(C)C
Molecular Weight	447.54
Reaxy-Rn	14618130
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14618130&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
B2418361	Certificate of Analysis	Jan 04, 2024	D586764
B2418362	Certificate of Analysis	Jan 04, 2024	D586764
B2418365	Certificate of Analysis	Jan 04, 2024	D586764
B2418368	Certificate of Analysis	Jan 04, 2024	D586764
B2418359	Certificate of Analysis	Jan 04, 2024	D586764
B2418363	Certificate of Analysis	Jan 04, 2024	D586764
B2418364	Certificate of Analysis	Jan 04, 2024	D586764
B2418366	Certificate of Analysis	Jan 04, 2024	D586764

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	447.500 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Exact Mass	447.193 Da
Monoisotopic Mass	447.193 Da
Topological Polar Surface Area	118.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	562.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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