Pyrrolostatin - ≥98% , CAS No.144314-68-1

CAS: 144314-68-1 Cat. No.: P276227 Fórmula: C₁₅H₂₁NO₂ Peso molecular: 247.33

GRADE & PURITY ≥98%

Synonyms

4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-pyrrole-2-carboxylic acid | 4-(3,7-Dimethyl-2,6-octadienyl)-1H-pyrrole-2-carboxylic acid (E)- | EC 40 | (E)-4-(3,7-Dimethylocta-2,6-dien-1-yl)-1H-pyrrole-2-carboxylic acid | 1H-Pyrrole-2-carboxylic acid, 4-(3,7-dime

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Shipped on Dry Ice. Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-pyrrole-2-carboxylic acid | 4-(3,7-Dimethyl-2,6-octadienyl)-1H-pyrrole-2-carboxylic acid (E)- | EC 40 | (E)-4-(3,7-Dimethylocta-2,6-dien-1-yl)-1H-pyrrole-2-carboxylic acid | 1H-Pyrrole-2-carboxylic acid, 4-(3,7-dime

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(=CCCC(=CCC1=CNC(=C1)C(=O)O)C)C

IUPAC Name

4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-pyrrole-2-carboxylic acid

InChIKey

UEQIBCOZMSTCSW-KPKJPENVSA-N

INCHI

1S/C15H21NO2/c1-11(2)5-4-6-12(3)7-8-13-9-14(15(17)18)16-10-13/h5,7,9-10,16H,4,6,8H2,1-3H3,(H,17,18)/b12-7+

Isómeros SMILES

CC(=CCC/C(=C/CC1=CNC(=C1)C(=O)O)/C)C

Peso molecular

247.33

Reaxy-Rn

8329634

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8329634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Pyrrole 2-carboxylic acids Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic monoterpenoid - Monocyclic monoterpenoid - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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

• Solubilidad: Soluble in DMSO and ethanol
• Peso molecular: 247.330 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 247.157 Da
• Monoisotopic Mass: 247.157 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 144314-68-1, the molecular formula is C15H21NO2, and the molecular weight is 247.33 g/mol. InChIKey UEQIBCOZMSTCSW-KPKJPENVSA-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.