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

CAS: 475-25-2 Cat. No.: H332256 Molecular Weight: 300.26 Beilstein Registry Number: 93039 EC Number: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥40%

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥40%

Product Properties

• pKa: pKa: 8.02 (Predicted)

Names and Identifiers

• Pubchem Sid: 488202842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202842
• Canonical Smiles: 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
• Isomeric SMILES: C1C2=CC(=C(C=C2C3=C4C=CC(=O)C(=C4OCC31O)O)O)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in ammonia with brownish-violet colour , dilute sodium hydroxide solution with bright red colour., and diluted bases. Insoluble in water.
• Refractive Index: n20D1.82 (Predicted)
• Boil Point(°C): ~753.1° C at 760 mmHg (Predicted)
• Melt Point(°C): 140° C
• Molecular Weight: 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