TL;DR: 3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL 6-METHYL(1,2,3,4-TETRAHYDROQUINOLYL) KETONE (CAS 1024388-13-3) is a chemical compound with molecular formula C21H19ClN2O2 and molecular weight 366.1135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
Also Known As: 3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL 6-METHYL(1,2,3,4-TETRAHYDROQUINOLYL) KETONE, [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone, 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6-methyl-1,2,3,4-tetrahydroquinoline, [3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
| Molecular Formula | C21H19ClN2O2 |
| Molecular Weight | 366.1135 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.1135 Da |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
| SMILES | CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C |
| InChIKey | MCCDKIFSUPSJCX-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL 6-METHYL(1,2,3,4-TETRAHYDROQUINOLYL) KETONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, 3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL 6-METHYL(1,2,3,4-TETRAHYDROQUINOLYL) KETONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL 6-METHYL(1,2,3,4-TETRAHYDROQUINOLYL) KETONE has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL 6-METHYL(1,2,3,4-TETRAHYDROQUINOLYL) KETONE is 1024388-13-3.
The molecular formula of 3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL 6-METHYL(1,2,3,4-TETRAHYDROQUINOLYL) KETONE is C21H19ClN2O2.
The molecular weight of 3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL 6-METHYL(1,2,3,4-TETRAHYDROQUINOLYL) KETONE is 366.1135 g/mol.
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