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Technology Process of [2-Amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate

[2-Amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate

Base Information
  • Chemical Name:[2-Amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate
  • CAS No.:749262-82-6
  • Molecular Formula:C24H27ClNO6PS
  • Molecular Weight:523.97
  • Hs Code.:
  • ChEMBL ID:CHEMBL3133604
  • DSSTox Substance ID:DTXSID80581589
  • Mol file:749262-82-6.mol
[2-Amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate

Synonyms:749262-82-6;[2-amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate;CHEMBL3133604;SCHEMBL13259229;DTXSID80581589;2-Amino-4-(4-{[3-(benzyloxy)phenyl]sulfanyl}-2-chlorophenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate

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Chemical Property of [2-Amino-4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate
Chemical Property:
  • Boiling Point:753.5±70.0 °C(Predicted) 
  • PKA:1.73±0.10(Predicted) 
  • PSA：157.35000 
  • Density:1.43±0.1 g/cm3(Predicted) 
  • LogP:5.50220 
  • XLogP3:0.9
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:12
  • Exact Mass:523.0985234
  • Heavy Atom Count:34
  • Complexity:651
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(COP(=O)(O)O)N)Cl
  • Uses KRP-203 Monophosphate is used in the synthesis. It is used in the synthesis of sphingosine-1-phosphate receptor agonist KRP-203 (K660300). Immunosuppressant.
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