AC1MK8XY
4-[3-(2-chloro-7-methylquinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 06208118|4-(5-(2-chloro-7-methylquinolin-3-yl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid|4-[5-(2-chloro-7-methylquinolin-3-yl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid|F1322-0008|4-[3-(2-chloro-7-methylquinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid|4-[5-(2-Chloro-7-methyl-quinolin-3-yl)-3-furan-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid
| Molecular Formula | C21H18ClN3O4 |
|---|---|
| Molecular Weight | 411.09857 g/mol |
| LogP | 4.33212 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.09857 |
| Monoisotopic Mass | 411.09857 |
| Heavy Atoms | 29 |
| Complexity | 1124.4116 |
Chemical Identifiers
| CAS Number | 511237-80-2 |
|---|---|
| SMILES | CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CO4)Cl |
Product Overview
AC1MK8XY (CAS 511237-80-2), with molecular formula C21H18ClN3O4 and molecular weight 411.09857 g/mol. IUPAC: 4-[3-(2-chloro-7-methylquinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
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