AC1LX3A4
methyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
Also Known As: AK-968/41024624|methyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate|methyl 4-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate|methyl 4-(3-(2-(3-isopropoxyphenyl)quinoline-4-carbonyl)thioureido)benzoate|METHYL 4-{[({[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}BENZOATE|methyl 4-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}benzoate
CAS: 445237-79-6
| Molecular Formula | C28H25N3O4S |
|---|---|
| Molecular Weight | 499.1566 g/mol |
| LogP | 5.6024 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.1566 |
| Monoisotopic Mass | 499.1566 |
| Heavy Atoms | 36 |
| Complexity | 1434.6965 |
Chemical Identifiers
| CAS Number | 445237-79-6 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
AC1LX3A4 (CAS 445237-79-6), with molecular formula C28H25N3O4S and molecular weight 499.1566 g/mol. IUPAC: methyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate.
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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