Suberic acid - ≥99% , CAS No.505-48-6

CAS: 505-48-6 Cat. No.: S105586 Peso molecular: 174.19 Beilstein Registry Number: 2691 Número EC: 208-010-9 PubChem CID: 10457

GRADE & PURITY ≥99%

Synonyms

1,6-Hexanedicarboxylic acid | SUBERIC ACID | Z104473456 | Hexamethylenedicarboxylate | Korksaeure | Octane-1,8-dioate | 1,8-Octanedioic acid | CAS-505-48-6 | MFCD00004428 | Suberinsaeure | NCGC00164012-03 | s6220 | bmse000378 | NSC 25952 | AB00376809-03 |

Storage

Room temperature

Shipped In

Normal

Descripción general

Suberic Acid is used in the preparation of reduction-sensitive micelles affecting their cellular uptake. This has potential application in delivery of anticancer drugs. It is also used in the fluorescent detection of amidinium-carboxylate and amidinium formation.
A chemical used in the preparation of reduction-sensitive micelles

Specifications

Sinónimos

1, 6-Hexanedicarboxylic acid | SUBERIC ACID | Z104473456 | Hexamethylenedicarboxylate | Korksaeure | Octane-1, 8-dioate | 1, 8-Octanedioic acid | CAS-505-48-6 | MFCD00004428 | Suberinsaeure | NCGC00164012-03 | s6220 | bmse000378 | NSC 25952 | AB00376809-03 |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181137
• Sonrisas canónicas: C(CCCC(=O)O)CCC(=O)O
• IUPAC Name: octanedioic acid
• InChIKey: TYFQFVWCELRYAO-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
• Isómeros SMILES: C(CCCC(=O)O)CCC(=O)O
• WGK Alemania: 1
• PubChem CID: 10457
• Peso molecular: 174.19
• Beilstein: 2691
• Reaxy-Rn: 1210161

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Dicarboxylic acids

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

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (1.6 mg/ml at 20 °C), DMSO, methanol, and ether (very slightly). Insoluble in chloroform.
• Punto de inflamación (°F): 410 °F
• Punto de inflamación (°C): 203 ℃
• Punto de ebullición (°C): 230°C
• Punto de fusión (°C): 141-144°C
• Peso molecular: 174.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 135.000
• 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

Referencias

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