3-[2-(2-Cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9H-purin-9-YL)ethyl]phenol

Base Information

• Chemical Name: 3-[2-(2-Cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9H-purin-9-YL)ethyl]phenol
• CAS No.: 845895-51-4
• Molecular Formula: C26H30N5O2P
• Molecular Weight: 475.53
• UNII: HEJ6QDU4PA
• Nikkaji Number: J2.214.810I
• Wikidata: Q27461069
• Pharos Ligand ID: X51MNC1V4QNL
• ChEMBL ID: CHEMBL1089405
• Mol file: 845895-51-4.mol

Synonyms:AP23464

Chemical Property of 3-[2-(2-Cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9H-purin-9-YL)ethyl]phenol

Chemical Property:

• PSA: 121.20000
• Density: 1.35±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 5.36000
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 475.21371221
• Heavy Atom Count: 34
• Complexity: 705

Purity/Quality:

99% ^*data from raw suppliers

3-[2-[2-CYCLOPENTYL-6-[[4-(DIMETHYLPHOSPHINYL)PHENYL]AMINO]-9H-PURIN-9-YL]ETHYL]PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CP(=O)(C)C1=CC=C(C=C1)NC2=C3C(=NC(=N2)C4CCCC4)N(C=N3)CCC5=CC(=CC=C5)O

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