N-Tosyl-L-alanyloxyindole - CAS 75062-54-3
Catalog:
BB054042
Product Name:
N-Tosyl-L-alanyloxyindole
CAS:
75062-54-3
Synonyms:
N-Tosyl-L-alanine 3-indoxyl ester; (S)-1H-Indol-3-yl 2-(4-methylphenylsulfonamido)propanoate; 1H-Indol-3-yl N-((4-methylphenyl)sulphonyl)-L-alaninate; L-Alanine, N-[(4-methylphenyl)sulfonyl]-, 1H-indol-3-yl ester; H-Tos-Ala-y; 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate; Taloxin
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Quantity
BB054042
2.5 g
$298
In stock
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BB054042
5 g
$523
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IUPAC Name: 1H-indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
Molecular Weight: 358.42
Molecular Formula: C18H18N2O4S
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CNC3=CC=CC=C32
InChI: InChI=1S/C18H18N2O4S/c1-12-7-9-14(10-8-12)25(22,23)20-13(2)18(21)24-17-11-19-16-6-4-3-5-15(16)17/h3-11,13,19-20H,1-2H3/t13-/m0/s1
InChI Key: CBIVSVOVPJAVRE-ZDUSSCGKSA-N
Boiling Point: 577.9±60.0 °C (Predicted)
Melting Point: 38-60 °C
Purity: ≥ 99% (HPLC)
Density: 1.339±0.06 g/cm3 (Predicted)
Appearance: Greyish white powder
Storage: Store at 2-8 °C
Complexity: 566
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Exact Mass: 358.09872823
Formal Charge: 0
Heavy Atom Count: 25
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 358.09872823
Rotatable Bond Count: 6
Topological Polar Surface Area: 96.6
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.5
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Related Functional Groups
Amines and Anilines
Indoles
Sulfur Compounds
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