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

CAS: 475-25-2 Cat. No.: H332256 분자식: C₁₆H₁₂O₆ 분자량: 300.26 Beilstein Registry Number: 93039 EC 번호: 207-492-8

등급 & 순도 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

개요

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

사양

동의어

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

사양 및 순도

Moligand™,≥40%

보관 조건

Room temperature

배송

Normal

등급

Moligand™

작업 유형

INHIBITOR

순수함

≥40%

제품 특성

pKa

pKa: 8.02 (Predicted)

이름과 식별자

Pubchem Sid

488202842

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 분류 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in ammonia with brownish-violet colour , dilute sodium hydroxide solution with bright red colour., and diluted bases. Insoluble in water.
• 굴절률: n20D1.82 (Predicted)
• 끓는점(°C): ~753.1° C at 760 mmHg (Predicted)
• 녹는점(°C): 140° C
• 분자량: 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