AC1MVDO2
methyl 2-[[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl]propanoate
Also Known As: methyl 2-((7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate|methyl 2-{[7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}propanoate
CAS: 844827-57-2
| Molecular Formula | C16H12Cl2N6O2S |
|---|---|
| Molecular Weight | 422.01196 g/mol |
| LogP | 3.4236 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.01196 |
| Monoisotopic Mass | 422.01196 |
| Heavy Atoms | 27 |
| Complexity | 1174.6053 |
Chemical Identifiers
| CAS Number | 844827-57-2 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NN=C2N1C=NC3=C2C=NN3C4=CC(=C(C=C4)Cl)Cl |
Product Overview
AC1MVDO2 (CAS 844827-57-2), with molecular formula C16H12Cl2N6O2S and molecular weight 422.01196 g/mol. IUPAC: methyl 2-[[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl]propanoate.
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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