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CS-W001157 4
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Cyclohexane-1,2,3,4,5,6-hexaone octahydrate

  • CAS No. 7255-28-9

  • Cat. No. CS-0077185
  • Purity≥98%
  • MDL No.MFCD00149074

*For research and further manufacturing use only, not for direct human use.

Cyclohexane-1,2,3,4,5,6-hexaone octahydrate|CS-0077185

Structure of 7255-28-9

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General Information

  • CAS No. 7255-28-9
  • Cat. No. CS-0077185
  • Purity ≥98%
  • MDL No. MFCD00149074
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₆O₁₄
  • Molecular Weight 312.18
  • Synonym(s) Triquinoyl octahydrate
  • SMILES O=C1C(C(C(C(C1=O)=O)=O)=O)=O.O.O.O.O.O.O.O.O

Description

Cyclohexane-1,2,3,4,5,6-hexaone octahydrate features a fully oxidized cyclohexane core with six carbonyl groups flanking a stable, water-soluble hydrate structure. This highly polar scaffold serves as a rigid, multi-functional platform for studying molecular conformation and ligand-receptor interactions in aqueous environments.

Application

Cyclohexane-1,2,3,4,5,6-hexaone octahydrate serves as a highly functionalized, bench-stable platform for polyfunctionalized scaffold construction. Its six contiguous carbonyl groups enable sequential reductive amination or nucleophilic addition reactions under mild conditions, facilitating the assembly of complex heterocyclic systems and chiral building blocks. The octahydrate form enhances solubility and stability in aqueous-organic mixtures, supporting efficient purification and scalability in medicinal chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H312-H332
Precautionary Statements : P261-P271-P280-P302+P352-P304+P340-P362+P364-P501

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Computational Chemistry Data

  • TPSA   354.42
  • LogP   -9.183
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   0

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