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CS-W001157 4
Total: USD 88.00

Oxepane-4-carboxylic acid

  • CAS No. 933747-23-0

  • Cat. No. CS-0136868
  • Purity≥98%
  • MDL No.None

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

Oxepane-4-carboxylic acid|CS-0136868

Structure of 933747-23-0

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General Information

  • CAS No. 933747-23-0
  • Cat. No. CS-0136868
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₃
  • Molecular Weight 144.17
  • Synonym(s) None
  • SMILES O=C(C1CCOCCC1)O

Description

Oxepane-4-carboxylic acid is a seven-membered cyclic ether bearing a carboxylic acid group at the 4-position, offering a rigid yet functionalized scaffold for medicinal chemistry. This heterocyclic building block integrates readily into bioactive molecule designs, where its polar functionality enhances solubility and enables conjugation. The fused ring system provides distinct conformational constraints ideal for target-specific ligand development.

Application

Oxepane-4-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. Its fused seven-membered ring with a carboxylic acid at the 4-position enables straightforward derivatization via amide, ester, or reduction reactions. The scaffold exhibits good bench stability and functional group tolerance, facilitating incorporation into complex molecular architectures through standard coupling protocols.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   0.8877
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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