≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Bis-sulfone NHS Ester is a bis-alkylating labeling reagent that is selective for the cysteine sulfur atoms from a native disulfide. These reagents undergo bis-alkylation to conjugate both thiols derived from the two cysteine residues of a reduced native disulfide bond such as the interchain disulfide bonds of an antibody. The reaction results in covalent rebridging of the disulfide bond via a three carbon bridge leaving the protein structurally intact.
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)ON4C(=O)CCC4=O |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoate |
| InChIKey | NTRPBIATANVSPI-UHFFFAOYSA-N |
| INCHI | 1S/C29H27NO9S2/c1-19-3-11-24(12-4-19)40(35,36)17-23(18-41(37,38)25-13-5-20(2)6-14-25)28(33)21-7-9-22(10-8-21)29(34)39-30-26(31)15-16-27(30)32/h3-14,23H,15-18H2,1-2H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)ON4C(=O)CCC4=O |
| PubChem CID | 6420087 |
| Molecular Weight | 597.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Tosyl compounds Benzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Aryl alkyl ketones Pyrrolidine-2-ones Sulfones Dicarboximides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Tosyl compound - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Pyrrolidine - Sulfonyl - Sulfone - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 597.700 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 597.113 Da |
| Monoisotopic Mass | 597.113 Da |
| Topological Polar Surface Area | 166.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1120.000 |
| 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 |
