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

CAS: 475-25-2 Cat. No.: H332256 分子式: C₁₆H₁₂O₆ 分子量: 300.26 Beilstein Registry Number: 93039 EC番号: 207-492-8

GRADE & PURITY 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

概要

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

Specifications

同義語

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

仕様と純度

Moligand™,≥40%

保管条件

Room temperature

入荷

Normal

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥40%

製品の性質

pKa

pKa: 8.02 (Predicted)

名前と識別子

パブケム・シド

488202842

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in ammonia with brownish-violet colour , dilute sodium hydroxide solution with bright red colour., and diluted bases. Insoluble in water.
• 屈折率: n20D1.82 (Predicted)
• 沸点（°C）: ~753.1° C at 760 mmHg (Predicted)
• 融点（°C）: 140° C
• 分子量: 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