NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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ethyl (2S)-2-hydroxy-4-phenylbutanoate
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IUPAC Traditional name
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ethyl (2S)-2-hydroxy-4-phenylbutanoate
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Synonyms
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(αS)-α-Hydroxybenzenebutanoic Acid Ethyl Ester
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(S)-Ethyl 2-Hydroxy-4-phenylbutanoate
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Ethyl (S)-α-Hydroxybenzenebutanoate
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(S)-2-Hydroxy-4-phenylbutyric Acid Ethyl Ester
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.695693
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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2.1317675
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LogD (pH = 7.4)
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2.1317654
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Log P
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2.1317675
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Molar Refractivity
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57.5775 cm3
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Polarizability
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22.760132 Å3
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Polar Surface Area
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46.53 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
Toronto Research Chemicals -
H949095
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Used in the preparation of benzothiophenes, benzofurans, and indoles useful in the treatment of insulin resistance and hyperglycemia. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Chang, A., et al.: Diabetes, 32, 830 (1983)
- • Goldstein, B. et al.: Cell Biochem., 48, 33 (1983)
- • Sredy, J., et al.: Metabolism, 44, 1074 (1983)
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PATENTS
PATENTS
PubChem Patent
Google Patent