AC1MJ7XF
8-butylsulfanyl-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00458083|NCGC00274677-01|AB01278672-01|AG-690/11060018|8-(butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-butylsulfanyl-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione|8-(butylthio)-7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS: 331675-45-7
| Molecular Formula | C21H28N4O4S |
|---|---|
| Molecular Weight | 432.18314 g/mol |
| LogP | 2.3178 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 432.18314 |
| Monoisotopic Mass | 432.18314 |
| Heavy Atoms | 30 |
| Complexity | 1101.1223 |
Chemical Identifiers
| CAS Number | 331675-45-7 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C |
Product Overview
AC1MJ7XF (CAS 331675-45-7), with molecular formula C21H28N4O4S and molecular weight 432.18314 g/mol. IUPAC: 8-butylsulfanyl-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-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.
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