TL;DR: (1R,5R)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one (CAS 1214624-00-6) is a chemical compound with molecular formula C28H28N2O2 and molecular weight 424.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,9R)-11-(5-hydroxy-5,5-diphenylpent-2-ynyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5R)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, (1R,5S)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
| Molecular Formula | C28H28N2O2 |
| Molecular Weight | 424.2151 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.2151 Da |
| Heavy Atoms | 32 |
| Complexity | 801.0 |
| SMILES | C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)CC#CCC(C4=CC=CC=C4)(C5=CC=CC=C5)O |
| InChIKey | ASNBZJPFGFZHSK-DHIUTWEWSA-N |
The XLogP value of 3.5 indicates that (1R,5R)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, (1R,5R)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,5R)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one has 1 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 (1R,5R)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one is 1214624-00-6.
The molecular formula of (1R,5R)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one is C28H28N2O2.
The molecular weight of (1R,5R)-3-(5-hydroxy-5,5-diphenylpent-2-yn-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one is 424.2151 g/mol.
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