Solvent Red 197 - Biological stain , CAS No.52372-39-1

CAS: 52372-39-1 Cat. No.: S299037 Fórmula: C₂₃H₁₉N₅O Peso molecular: 381.44 Número EC: 257-885-3 PubChem CID: 104185

GRADE & PURITY Biological Stain

Synonyms

SCHEMBL2390884 | 3-(Diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile | EINECS 257-885-3 | 3-(Diethylamino)-7-imino-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile | AKOS004090572 | 3-(Diethy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL2390884 | 3-(Diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile | EINECS 257-885-3 | 3-(Diethylamino)-7-imino-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile | AKOS004090572 | 3-(Diethy

Especificaciones y pureza

Biological stain

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Biological Stain

Nombres e identificadores

Pubchem Sid

504756560

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756560

Sonrisas canónicas

CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2

IUPAC Name

17-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile

InChIKey

FXFIDVQMNRVEGQ-UHFFFAOYSA-N

INCHI

1S/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3

Isómeros SMILES

CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2

PubChem CID

104185

Peso molecular

381.44

Reaxy-Rn

1092311

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: 1-benzopyrans Imidazo[1,2-a]pyridines Benzimidazoles Dialkylarylamines Pyridines and derivatives N-substituted imidazoles Imidolactams Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyran - Pyranopyridine - 1-benzopyran - Benzimidazole - Imidazo[1,2-a]pyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-substituted imidazole - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Tertiary amine - Nitrile - Carbonitrile - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine 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

Propiedades químicas y físicas

• Peso molecular: 381.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 381.159 Da
• Monoisotopic Mass: 381.159 Da
• Topological Polar Surface Area: 77.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 803.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What does Biological Stain mean?

Biological Stain indicates that the product has been processed and tested for biological and biochemical applications. Specifications may include endotoxin limits, microbial controls, sterility, low DNase/RNase/protease activity, and verified biological activity where relevant.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 52372-39-1, the molecular formula is C23H19N5O, and the molecular weight is 381.44 g/mol. InChIKey FXFIDVQMNRVEGQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.