AC1MJ7YX
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00458110|7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-(heptylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(heptylsulfanyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
CAS: 331675-58-2
| Molecular Formula | C22H29ClN4O4S |
|---|---|
| Molecular Weight | 480.1598 g/mol |
| LogP | 3.5791 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 480.1598 |
| Monoisotopic Mass | 480.1598 |
| Heavy Atoms | 32 |
| Complexity | 1139.7688 |
Chemical Identifiers
| CAS Number | 331675-58-2 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
AC1MJ7YX (CAS 331675-58-2), with molecular formula C22H29ClN4O4S and molecular weight 480.1598 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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