CAS 581813-23-2: α-Ethyl-5-isoquinolineacetic acid

Description: α-Ethyl-5-isoquinolineacetic acid, identified by its CAS number 581813-23-2, is a chemical compound that features a unique structure combining an isoquinoline moiety with an acetic acid functional group. This compound is characterized by its potential biological activity, which may include interactions with various biological targets, making it of interest in medicinal chemistry and pharmacology. The isoquinoline structure contributes to its aromatic properties and may influence its solubility and reactivity. Typically, compounds like this may exhibit moderate to high lipophilicity due to the presence of the aromatic ring, which can affect their absorption and distribution in biological systems. Additionally, the presence of the ethyl group can enhance its steric properties, potentially influencing its binding affinity to target proteins. Overall, α-Ethyl-5-isoquinolineacetic acid represents a class of compounds that may have therapeutic applications, although specific biological activities and mechanisms would require further investigation through experimental studies.

Formula: C₁₃H₁₃NO₂

InChI: InChI=1S/C13H13NO2/c1-2-10(13(15)16)12-5-3-4-9-8-14-7-6-11(9)12/h3-8,10H,2H2,1H3,(H,15,16)

InChI key: InChIKey=YDNSLUQWXGQXTH-UHFFFAOYSA-N

SMILES: O=C(O)C(C1=CC=CC=2C=NC=CC21)CC

Synonyms:

• 2-(5-Isoquinolinyl)butanoic acid
• α-Ethyl-5-isoquinolineacetic acid
• 2-(Isoquinolin-5-yl)butanoic acid
• 5-Isoquinolineacetic acid, α-ethyl-

2-(Isoquinolin-5-yl)butanoic acid

CAS: 581813-23-2

• Purity: 98%
• Molecular weight: 215.2519989013672

2-(Isoquinolin-5-yl)butanoicacid

CAS: 581813-23-2

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• Formula: C₁₃H₁₃NO₂
• Purity: Min. 95%
• Molecular weight: 215.25 g/mol