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Home > Products > Pharmaceuticals & Life Science > Pharmaceutical Intermediates > (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol structure, CAS 1644461-85-7

(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

CAS Number1644461-85-7

SynonymsExact Mass 538.180969; LogP -1.81; Index of Refraction 1.770; InChIKey DXFXDCXSENDSIK-LJCGIFJESA-N; Synonyms

Molecular FormulaC25H30O5N6S1F2

Molecular Weight564.61

Purity

Density1.8±0.1 g/cm3

Boiling Point821.3±75.0 °C at 760 mmHg

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Cat. No.: 2A-3184543 Purity:
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Quality Control of [ 1644461-85-7 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1644461-85-7
Catalog No.2A-3184543
Chinese Name替格瑞洛杂质I
SynonymsExact Mass 538.180969; LogP -1.81; Index of Refraction 1.770; InChIKey DXFXDCXSENDSIK-LJCGIFJESA-N; Synonyms
Molecular FormulaC25H30O5N6S1F2
Molecular Weight564.61
Density1.8±0.1 g/cm3
Boiling Point821.3±75.0 °C at 760 mmHg
Water SolubilityInsuluble (7.5E-3 g/L) (25 ºC)
Storage Condition2-8°C
PubChem ID210278646
MDL NumberMFCD28387003
SMILESCCCS(=O)c1nc(NC2CC2c2ccc(F)c(F)c2)c2nnn(C3CC(OCCO)C(O)C3O)c2n1
InChIInChI=1S/C23H28F2N6O5S/c1-2-7-37(35)23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(36-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+,37?/m0/s1
InChI KeyDXFXDCXSENDSIK-LJCGIFJESA-N
Transport InfoProduct name: (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl
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