TL;DR: (2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine (CAS 1309668-18-5) is a chemical compound with molecular formula C12H19N and molecular weight 177.15175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
Also Known As: (2S,6S)-2,6-DIALLYL-4-METHYL-1,2,3,6-TETRAHYDROPYRIDINE, rac-(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine, Arg-Pro p-nitroanilide acetate salt, BAS 00631999, (2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
| Molecular Formula | C12H19N |
| Molecular Weight | 177.15175 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.15175 Da |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
| SMILES | CC1=C[C@@H](N[C@H](C1)CC=C)CC=C |
| InChIKey | BDKVHGIIDKMPBK-RYUDHWBXSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine. With a topological polar surface area (TPSA) of 12.0 Ų, (2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine is 1309668-18-5.
The molecular formula of (2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine is C12H19N.
The molecular weight of (2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine is 177.15175 g/mol.
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