NSC 102533 - ≥98% , CAS No.1150-59-0

CAS: 1150-59-0 Cat. No.: N412285 Formula: C₁₆H₁₀O₃ Molecular Weight: 250.25 PubChem CID: 265893

GRADE & PURITY ≥98%

Synonyms

Antimalarial agent 14 | N17074 | 4-hydroxy-3-phenylnaphthalene-1,2-dione | 1,4-Naphthalenedione, 2-hydroxy-3-phenyl- | 2-Hydroxy-3-phenyl-1,4-naphthoquinone | 4-Hydroxy-3-phenyl-naphthalene-1,2-dione;NSC102533 | Oprea1_075833 | Oprea1_291473 | HY-114197 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

NSC 102533 is a bioactive compound.

Specifications

Synonyms

Antimalarial agent 14 | N17074 | 4-hydroxy-3-phenylnaphthalene-1,2-dione | 1,4-Naphthalenedione, 2-hydroxy-3-phenyl- | 2-Hydroxy-3-phenyl-1,4-naphthoquinone | 4-Hydroxy-3-phenyl-naphthalene-1,2-dione;NSC102533 | Oprea1_075833 | Oprea1_291473 | HY-114197 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

NSC 102533 is a bioactive compound.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Pubchem Sid

528766319

Canonical Smiles

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

IUPAC Name

4-hydroxy-3-phenylnaphthalene-1,2-dione

InChIKey

HCKUADBGJIXWTR-UHFFFAOYSA-N

INCHI

1S/C16H10O3/c17-14-11-8-4-5-9-12(11)15(18)16(19)13(14)10-6-2-1-3-7-10/h1-9,17H

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

PubChem CID

265893

Molecular Weight

250.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Naphthoquinones Naphthols and derivatives Quinones Aryl ketones Benzene and substituted derivatives Vinylogous acids Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - Naphthoquinone - 1-naphthol - Aryl ketone - Quinone - Monocyclic benzene moiety - Vinylogous acid - Ketone - Cyclic ketone - Enol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
• 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

• Molecular Weight: 250.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.063 Da
• Monoisotopic Mass: 250.063 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 429.000
• 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