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DBCO-C6-NHS ester - 95%, high purity , CAS No.1384870-47-6

COA

Grade & Purity:

≥95%

Cas Number: 1384870-47-6
Molecular Weight: 430.45
PubChem CID: 86580459

In stock

Item Number

D595728

Grouped product items
SKU	Size	Availability	Price
D595728-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$586.90
D595728-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,121.90
D595728-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11,251.90

DBCO-NHS ester

View related series

Alkyne PEG (559)

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	DBCO-C6-NHS ester is an amine-reactive compound, which can be used to modify an amine-containing molecule in organic media. This reagent isn't soluble in aqueous media. The extended 6-carbon atom spacer arm improves solubility in commonly used organic solvents including dichloromethane, chloroform, THF, and ethyl acetate and it also improves derivatization efficiency and stability of conjugates. DBCO is commonly used for copper-free Click Chemistry reactions.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Not available
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzenoids
Alternative Parents	Pyrrolidine-2-ones Tertiary carboxylic acid amides Dicarboximides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
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	(2,5-dioxopyrrolidin-1-yl) 6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoate
INCHI	InChI=1S/C25H22N2O5/c28-22(11-5-6-12-25(31)32-27-23(29)15-16-24(27)30)26-17-20-9-2-1-7-18(20)13-14-19-8-3-4-10-21(19)26/h1-4,7-10H,5-6,11-12,15-17H2
InChIKey	CATTUKBAYDNTEG-UHFFFAOYSA-N
Smiles	C1CC(=O)N(C1=O)OC(=O)CCCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
Isomeric SMILES	C1CC(=O)N(C1=O)OC(=O)CCCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
Molecular Weight	430.45
Reaxy-Rn	26494385
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26494385&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	430.500 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	430.153 Da
Monoisotopic Mass	430.153 Da
Topological Polar Surface Area	84.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	809.000
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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