7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Base Information

• Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
• CAS No.: 4595-05-5
• Molecular Formula: C15H13 N3 O4 S
• Molecular Weight: 452.9549
• DSSTox Substance ID: DTXSID70389314
• Mol file: 4595-05-5.mol

Synonyms:7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione;4595-05-5;7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-pentylsulfanylpurine-2,6-dione;DTXSID70389314;SORXCWFMTULHHW-UHFFFAOYSA-N;STK527523;AKOS000578424;AKOS024304394;AG-690/11060035

Chemical Property of 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.41g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 452.1285042
• Heavy Atom Count: 30
• Complexity: 593

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C