Suberic acid - ≥99% , CAS No.505-48-6

CAS: 505-48-6 Cat. No.: S105586 Molecular Weight: 174.19 Beilstein Registry Number: 2691 EC Number: 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

Overview

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

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 |

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488181137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181137
• Canonical Smiles: 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)
• Isomeric SMILES: C(CCCC(=O)O)CCC(=O)O
• WGK Germany: 1
• PubChem CID: 10457
• Molecular Weight: 174.19
• Beilstein: 2691
• Reaxy-Rn: 1210161

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (1.6 mg/ml at 20 °C), DMSO, methanol, and ether (very slightly). Insoluble in chloroform.
• Flash Point(°F): 410 °F
• Flash Point(°C): 203 ℃
• Boil Point(°C): 230°C
• Melt Point(°C): 141-144°C
• Molecular Weight: 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

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