23-Oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-oic acid | CAS No. 1352814-10-8

23-Oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-oic acid

Basic Information

CAS Number

1352814-10-8

Molecular Formula

C25H45N3O10S

Molecular Weight

579.71 g/mol

AD

Basic Physical Properties

O=C(NCCOCCOCCOCCOCCOCCOCCC(=O)O)CCCCC1SCC2C1NC(=O)N2

InChI

InChI=1S/C25H45N3O10S/c29-22(4-2-1-3-21-24-20(19-39-21)27-25(32)28-24)26-6-8-34-10-12-36-14-16-38-18-17-37-15-13-35-11-9-33-7-5-23(30)31/h20-21,24H,1-19H2,(H,26,29)(H,30,31)(H2,27,28,32)/t20-,21-,24-/m0/s1

InChIKey

GHYXJSUVAMFUEB-HFMPRLQTSA-N

LogP

0.40270000000000705

Topological Polar Surface Area

162.91 Ų

Hydrogen Bond Donor/Acceptor

4 / 13

Complexity

691

Synonyms & References

English

  • Biotin-PEG6-acid
  • (+)-Biotin-PEG6-acid
  • (+)-Biotin-PEG6-COOH
  • BIPG1200
  • C25H45N3O10S
  • (+)-Biotin-PEG6-CH2CH2COOH
  • 6189AH

MDL Number

MFCD16875661

FAQ

What are the physical and chemical properties of 23-Oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-oic acid (CAS: 1352814-10-8)?

This compound is a long-chain carboxylic acid with a thienoimidazole side chain. It crystallizes in a hexagonal form with a molecular weight of approximately 581.79 g/mol. The compound has low solubility in water but is soluble in organic solvents like DMSO. It exhibits moderate reactivity towards nucleophiles and can undergo esterification reactions. At room temperature, it is stable but should be stored in a cool, dry place away from direct sunlight.

How is 23-Oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-oic acid (CAS: 1352814-10-8) typically synthesized?

The compound is synthesized through a multistep process involving the condensation of a thienoimidazole derivative with an omega-oxa-carboxylic acid. The reaction is catalyzed by a palladium complex and proceeds with high selectivity. The overall yield is around 60-70%, depending on the purity of the starting materials and reaction conditions.

What industries use 23-Oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-oic acid (CAS: 1352814-10-8)?

This compound is primarily used in pharmaceutical research for its potential as an antiviral agent. It may also find applications in sensor technology due to its unique chemical structure, which can be exploited for detecting specific biomolecules. Additionally, its thienoimidazole moiety could be relevant in the development of new materials with specific electronic properties.

What precautions should be taken when handling 23-Oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-oic acid (CAS: 1352814-10-8)?

Proper personal protective equipment (PPE) is essential when handling this compound. Lab technicians should wear gloves, safety glasses, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly washed with water. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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