Cas no 70051-38-6 (1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)-)

1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)- structure
70051-38-6 structure
Product Name:1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)-
CAS No:70051-38-6
MF:C15H26O2
MW:238.365745067596
CID:836849
PubChem ID:14312736
Update Time:2025-10-29

1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7S,7aS,7bR)-
    • 4,10-Aromadendranediol
    • (1aR,4R,4aR,7S,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cycloprop a[e]azulene-4,7-diol
    • 1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)-
    • Aromadendrane-4beta-10alpha-diol
    • 70051-38-6
    • Aromadendrane-4
    • 10alpha-dihydroxyaromadendrane
    • (1aR,4R,4aR,7S,7aS,7bR)-Decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene-4,7-diol
    • CS-0017761
    • FS-8973
    • DTXSID101127890
    • Aromadendrane-4beta,10alpha-diol
    • A-diol
    • AKOS032962420
    • (1aR,4R,4aR,7S,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
    • CHEMBL2171208
    • HY-N1876
    • A,10
    • 4β
    • 4beta,10alpha-Dihydroxyaromadendrane
    • DA-60299
    • (1AR,4R,4AR,7S,7AS,7BR)-1,1,4,7-TETRAMETHYL-OCTAHYDROCYCLOPROPA[E]AZULENE-4,7-DIOL
    • Inchi： 1S/C15H26O2/c1-13(2)9-5-7-14(3,16)10-6-8-15(4,17)12(10)11(9)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12-,14-,15+/m1/s1
    • InChI Key： DWNPMJOWAWGIMM-HTKHVQBFSA-N
    • SMILES： O[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)[C@H]3[C@@H]21)O

Computed Properties

  • Exact Mass: 238.19300
  • Monoisotopic Mass: 238.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 351
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 314.4±10.0 °C at 760 mmHg
  • Flash Point: 138.1±13.6 °C
  • PSA: 40.46000
  • LogP: 2.58060
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)- Security Information

1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)- Pricemore >>

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1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)- Related Literature

Related Categories

Additional information on 1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)-

Compound CAS No 70051-38-6: 1H-Cycloprop[e]azulene-4,7-diol, Decahydro-1,1,4,7-Tetramethyl-(1aR,4R,4aR,7S,7aS,7bR)-

The compound with CAS No 70051-38-6, named 1H-Cycloprop[e]azulene-4,7-diol, is a highly specialized organic molecule with a complex structure. This compound belongs to the class of azulene derivatives and has garnered significant attention in recent years due to its unique properties and potential applications in various fields. The full name of the compound is decahydro-1H-cycloprop[e]azulene-4,7-diol, with the stereochemical configuration specified as (1aR,4R,4aR,7S,7aS,7bR). This stereochemistry plays a crucial role in determining the compound's biological activity and physical properties.

The structure of this compound is characterized by a fused bicyclic system consisting of a cyclopropane ring and an azulene moiety. The presence of hydroxyl groups at positions 4 and 7 introduces additional functionality to the molecule. Recent studies have highlighted the importance of such structural features in enabling interactions with biological targets. For instance, the diol groups may participate in hydrogen bonding or act as recognition elements in enzyme active sites.

Research into this compound has focused on its potential as a bioactive agent. In vitro assays have demonstrated that it exhibits significant antioxidant activity due to its ability to scavenge free radicals. This property makes it a promising candidate for applications in the fields of nutraceuticals and cosmeceuticals. Furthermore, preliminary studies suggest that it may possess anti-inflammatory properties by modulating key signaling pathways involved in inflammation.

The synthesis of this compound involves a multi-step process that requires precise control over stereochemistry. Recent advancements in asymmetric catalysis have enabled researchers to achieve high enantioselectivity during its synthesis. These methods are critical for producing the compound in sufficient quantities for preclinical testing.

In terms of pharmacokinetics and toxicity profiles, CAS No 70051-38-6 has shown favorable absorption characteristics in animal models. However, further studies are needed to fully understand its metabolic pathways and potential toxicity profiles. Regulatory agencies require comprehensive safety assessments before this compound can be considered for therapeutic use.

The application of computational chemistry tools has provided valuable insights into the molecular interactions of this compound with biological targets. Docking studies have revealed potential binding modes with several proteins implicated in diseases such as cancer and neurodegenerative disorders. These findings underscore the need for further experimental validation to confirm these interactions.

In conclusion, CAS No 70051-38-6, or decahydro-1H-cycloprop[e]azulene-4,7-diol, represents an exciting development in organic chemistry with promising therapeutic potential. Continued research into its synthesis methods and biological activities will be essential for unlocking its full potential as a drug candidate or functional ingredient.

70051-38-6 (1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)-) Related Products

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