1,2-cyclohexanedicarboxylate de diglycidyle - ≥90% , CAS No.5493-45-8

CAS: 5493-45-8 Cat. No.: D102413 Formule: C₁₄H₂₀O₆ Poids moléculaire: 284.31 Numéro CE: 226-826-3

GRADE & PURITY ≥90%

Synonyms

FT-0686464 | Diglycidyl ester of hexahydro-phthalic acid | CCRIS 2628 | Diglycidyl 1,2-cyclohexanedicarboxylate | bis(2,3-epoxypropyl)1,2-cyclohexanedicarboxylate | bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate | 1,2-Cyclohexanedicarboxylic acid, b

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0686464 | Diglycidyl ester of hexahydro-phthalic acid | CCRIS 2628 | Diglycidyl 1,2-cyclohexanedicarboxylate | bis(2,3-epoxypropyl)1,2-cyclohexanedicarboxylate | bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate | 1,2-Cyclohexanedicarboxylic acid, b

Spécifications et pureté

≥90%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥90%

Noms et identifiants

• Pubchem Sid: 488182719
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182719
• Sourires canoniques: C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3
• IUPAC Name: bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate
• InChIKey: XFUOBHWPTSIEOV-UHFFFAOYSA-N
• INCHI: 1S/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2
• Isomères SMILES: C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3
• WGK Allemagne: 1
• RTECS: GU9070000
• Poids moléculaire: 284.31
• Reaxy-Rn: 1392357
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1392357&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Cibles associées (humaines)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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Lymphoblastoid cell (5959 Activities)

Explore this target

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Cibles associées (non humaines)

Cruzipain (33337 Activities)

Explore this target

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.487
• Point d'éclair (°F): 113 °C
• Point d'éclair (°C): 113°C
• Point d'ébullition (°C): 200-205°C
• Poids moléculaire: 284.300 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 284.126 Da
• Monoisotopic Mass: 284.126 Da
• Topological Polar Surface Area: 77.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Références

1. Hongyu Yuan, Qing Tang, Xiaming Feng, Hongyu Yang, Cheng Yan.  (2025)  Harnessing dual crosslinked network in room-temperature self-healable glassy thermosets with two distinct glass transitions.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128921]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 5493-45-8, the molecular formula is C14H20O6, and the molecular weight is 284.31 g/mol. InChIKey XFUOBHWPTSIEOV-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.

How should this product be stored?

Store at room temperature.