AC1MXW7S
4-[9-(4-chloroanilino)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-17-yl]benzene-1,2-diol
Also Known As: 4-(6-((4-chlorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzene-1,2-diol|4-{6-[(4-chlorophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzene-1,2-diol
CAS: 836635-96-2
| Molecular Formula | C31H23ClN6O2 |
|---|---|
| Molecular Weight | 546.1571 g/mol |
| LogP | 7.04062 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 546.1571 |
| Monoisotopic Mass | 546.1571 |
| Heavy Atoms | 40 |
| Complexity | 1829.1498 |
Chemical Identifiers
| CAS Number | 836635-96-2 |
|---|---|
| SMILES | CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=C(C=C5)Cl)C6=CC(=C(C=C6)O)O)C7=CC=CC=C7 |
Product Overview
AC1MXW7S (CAS 836635-96-2), with molecular formula C31H23ClN6O2 and molecular weight 546.1571 g/mol. IUPAC: 4-[9-(4-chloroanilino)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-17-yl]benzene-1,2-diol.
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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