Bis-Mal-PEG3 - ≥98% , CAS No.1008402-47-8

CAS: 1008402-47-8 Cat. No.: B595537 Molecular Weight: 494.50

GRADE & PURITY ≥98%

Synonyms

N,N'-(((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide) | Mal-PEG3-Mal | Mal-NH-PEG3-NH-Mal

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Bis-Mal-PEG3 is a PEG derivative containing a two maleimide groups. The maleimide groups will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol. The hydrophilic PEG spacer increases solubility in aqueous media.

Specifications

Synonyms

N, N'-(((Oxybis(ethane-2, 1-diyl))bis(oxy))bis(ethane-2, 1-diyl))bis(3-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)propanamide) | Mal-PEG3-Mal | Mal-NH-PEG3-NH-Mal

Specifications & Purity

≥98%

Storage

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• InChIKey: KFEOJIBJOGJZDY-UHFFFAOYSA-N
• INCHI: 1S/C22H30N4O9/c27-17(5-9-25-19(29)1-2-20(25)30)23-7-11-33-13-15-35-16-14-34-12-8-24-18(28)6-10-26-21(31)3-4-22(26)32/h1-4H,5-16H2,(H,23,27)(H,24,28)
• Isomeric SMILES: C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
• Molecular Weight: 494.50
• Reaxy-Rn: 36397337
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36397337&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Maleimides
• Alternative Parents: N-substituted carboxylic acid imides Pyrrolines Dicarboximides Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Secondary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.
• 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

Chemical and Physical Properties

• Solubility: Solubility in Water, DCM
• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 494.500 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 18
• Exact Mass: 494.201 Da
• Monoisotopic Mass: 494.201 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 752.000
• 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