TL;DR: (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (CAS 157056-59-2) is a chemical compound with molecular formula C18H23N and molecular weight 253.18304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
Also Known As: BAS 02102400, 2,6-diallyl-4-benzyl-1,2,3,6-tetrahydropyridine, AB00572997-05, AN-329/14083007, (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
| Molecular Formula | C18H23N |
| Molecular Weight | 253.18304 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.18304 Da |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
| SMILES | C=CC[C@H]1CC(=C[C@@H](N1)CC=C)CC2=CC=CC=C2 |
| InChIKey | PFOAIMHDKWUDIQ-ROUUACIJSA-N |
The XLogP value of 4.3 indicates that (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-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)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is 157056-59-2.
The molecular formula of (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is C18H23N.
The molecular weight of (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is 253.18304 g/mol.
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