WAY-358981 - ≥97% , CAS No.307322-32-3

CAS: 307322-32-3 Cat. No.: W418160 Formula: C₁₄H₁₂N₄O Molecular Weight: 252.27 PubChem CID: 681468

GRADE & PURITY ≥97%

Synonyms

5-Naphthalen-2-yl-2H-pyrazole-3-carboxylic acid hydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Sphingosine kinase inhibitors; Sphingosine kinase inhibitors

Specifications

Synonyms

5-Naphthalen-2-yl-2H-pyrazole-3-carboxylic acid hydrazide

Specifications & Purity

≥97%

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.

Purity

≥97%

Product Properties

ALogP

1.931

HBD Count

3

Rotatable Bond

2

Names and Identifiers

Pubchem Sid

504759845

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759845

Canonical Smiles

C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN

IUPAC Name

3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide

InChIKey

LCYQGEZMQHCWLJ-UHFFFAOYSA-N

INCHI

1S/C14H12N4O/c15-16-14(19)13-8-12(17-18-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,15H2,(H,16,19)(H,17,18)

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN

PubChem CID

681468

Molecular Weight

252.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Pyrazole-5-carboxamides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Pyrazole-5-carboxamide - Heteroaromatic compound - Pyrazole - Azole - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 252.270 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.101 Da
• Monoisotopic Mass: 252.101 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 335.000
• 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