Mal-amido-PEG2-TFP ester - ≥95% , CAS No.1431291-44-9

CAS: 1431291-44-9 Cat. No.: M596901 分子式: C₂₀H₂₀N₂O₇F₄ 分子量: 476.37 PubChem CID: 91757747

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

概要

Mal-amido-PEG2-TFP ester is PEG derivative containing a maleimide and TFP ester end group. Maleimide groups are reactive with thiols between pH 6.5 and 7.5. The TFP ester can be reacted with primary amine groups and is also less susceptible to undergo hydrolysis compared to NHS ester. The hydrophilic PEG chains increase the water solubility of a compound in aqueous media. Longer PEG chains have improved water solubility relative to shorter PEG chains.

Specifications

仕様と純度

≥95%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCC(=O)OC2=C(C(=CC(=C2F)F)F)F
• IUPAC Name: (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoate
• InChIKey: HHXSYLTYQVHXMA-UHFFFAOYSA-N
• INCHI: 1S/C20H20F4N2O7/c21-12-11-13(22)19(24)20(18(12)23)33-17(30)4-7-31-9-10-32-8-5-25-14(27)3-6-26-15(28)1-2-16(26)29/h1-2,11H,3-10H2,(H,25,27)
• 異性体SMILES: C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCC(=O)OC2=C(C(=CC(=C2F)F)F)F
• PubChem CID: 91757747
• 分子量: 476.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Fluorobenzenes Maleimides Aryl fluorides N-substituted carboxylic acid imides Pyrrolines Dicarboximides Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Fluorobenzene - Maleimide - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: Not available

Data sources

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

化学的性質と物理的性質

• 溶解度: Solubility in DMSO, DCM, DMF
• 分子量: 476.400 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 14
• Exact Mass: 476.121 Da
• Monoisotopic Mass: 476.121 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 707.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1431291-44-9, the molecular formula is C20H20N2O7F4, and the molecular weight is 476.37 g/mol. InChIKey HHXSYLTYQVHXMA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.