1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-
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1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-
structure -
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CAS No:
134071-44-6
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Formula:
C21H20Cl2N2O5S
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Chemical Name:
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-
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Synonyms:
1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-,4-(4-methylbenzenesulfonate),(2R,4R)-rel-;1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-,4-methylbenzenesulfonate (ester),cis-;1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-,4-methylbenzenesulfonate (ester),(2R,4R)-rel-;113770-69-7
- Categories:
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CAS No:
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel- Basic Attributes
483.37
483.36
1592732-453-0
Characteristics
88.03000
5.25300
Off-white solid
1.44±0.1 g/cm3(Predicted)
120-122°C
665.7±55.0 °C(Predicted)
356.4±31.5 °C
1.633
-20°C Freezer
3.58E-17mmHg at 25°C
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel- Use and Manufacturing
An intermediate in the synthesis of the drug Ketoconazole (K186000).
Computed Properties
Molecular Weight:483.4
XLogP3:4.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:482.0469983
Monoisotopic Mass:482.0469983
Topological Polar Surface Area:88
Heavy Atom Count:31
Complexity:700
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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