TL;DR: (1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one (CAS 1195126-66-9) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.11948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,9R)-11-(4-methylphenyl)sulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: (1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
| Molecular Formula | C18H20N2O3S |
| Molecular Weight | 344.11948 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.11948 Da |
| Heavy Atoms | 24 |
| Complexity | 684.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3 |
| InChIKey | IEMDPPNEUUFQGC-LSDHHAIUSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one. Following Lipinski's Rule of Five, (1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 1195126-66-9.
The molecular formula of (1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is C18H20N2O3S.
The molecular weight of (1R,5R)-3-tosyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one is 344.11948 g/mol.
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