Hematein - Moligand™,≥40% , CAS No.475-25-2

CAS: 475-25-2 Cat. No.: H332256 Fórmula: C₁₆H₁₂O₆ Peso molecular: 300.26 Beilstein Registry Number: 93039 Número CE: 207-492-8

GRAU & PUREZA Moligand™, ≥40%

Synonyms

2-(4-BOC-PIPERAZINYL)-2-(2,3-DIMETHOXY-PHENYL)ACETICACID | BDBM152157 | 3,4,6a,10-tetrahydroxy-6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9(6H)-one | AS-75167 | Benz[b]indeno[1, 6a,7-dihydro-3,4,6a,10-tetrahydroxy- | NCGC00178331-01 | KBioGR_001996 | W-206831

Storage

Room temperature

Shipped In

Normal

Visão geral

Hematein is a stain for the cell nuclei of animal tissue. Also suggested to possess use as a stain for myelin sheaths and nerve fibers. An oxidized version of hematoxylin. Color index: 75290

Especificações

Sinónimos

2-(4-BOC-PIPERAZINYL)-2-(2,3-DIMETHOXY-PHENYL)ACETICACID | BDBM152157 | 3,4,6a,10-tetrahydroxy-6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9(6H)-one | AS-75167 | Benz[b]indeno[1, 6a,7-dihydro-3,4,6a,10-tetrahydroxy- | NCGC00178331-01 | KBioGR_001996 | W-206831

Especificações e pureza

Moligand™,≥40%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥40%

Propriedades do produto

pKa

pKa: 8.02 (Predicted)

Nomes e identificadores

Pubchem Sid

488202842

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202842

Sorrisos canónicos

C1C2=CC(=C(C=C2C3=C4C=CC(=O)C(=C4OCC31O)O)O)O

IUPAC Name

4,6a,9,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one

InChIKey

HNNSUZPWERIYIL-UHFFFAOYSA-N

INCHI

1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,18-21H,5-6H2

SMILES isoméricas

C1C2=CC(=C(C=C2C3=C4C=CC(=O)C(=C4OCC31O)O)O)O

WGK Alemanha

3

Peso molecular

300.26

Beilstein

93039

Reaxy-Rn

6069698

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6069698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Pyrans Vinylogous esters Tertiary alcohols Cyclic ketones Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyran - Tertiary alcohol - Vinylogous ester - Ketone - Cyclic ketone - Oxacycle - Polyol - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in ammonia with brownish-violet colour , dilute sodium hydroxide solution with bright red colour., and diluted bases. Insoluble in water.
• Índice de refração: n20D1.82 (Predicted)
• Ponto de ebulição (°C): ~753.1° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 140° C
• Peso molecular: 300.260 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 300.063 Da
• Monoisotopic Mass: 300.063 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 645.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1