TL;DR: ((11)C)(-)-Rway (CAS 142685-19-6) is a chemical compound with molecular formula C27H37N3O2 and molecular weight 435.28857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
Also Known As: ((11)C)(-)-Rway, (-)-RWAY, (2S)-1-(Hexahydro-1H-azepin-1-yl)-4-(4-(2-methoxyphenyl)-1-piperazinyl)-2-phenyl-1-butanone, 1H-Azepine, hexahydro-1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)-1-oxo-2-phenylbutyl)-, (S)-, 1H-Azepine, hexahydro-1-((2S)-4-(4-(2-(methoxy-11C)phenyl)-1-piperazinyl)-1-oxo-2-phenylbutyl)-
| Molecular Formula | C27H37N3O2 |
| Molecular Weight | 435.28857 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.28857 Da |
| Heavy Atoms | 32 |
| Complexity | 549.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CC[C@@H](C3=CC=CC=C3)C(=O)N4CCCCCC4 |
| InChIKey | JUAVWMUCGPXXJV-DEOSSOPVSA-N |
The XLogP value of 4.5 indicates that ((11)C)(-)-Rway is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.0 Ų, ((11)C)(-)-Rway exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((11)C)(-)-Rway 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 ((11)C)(-)-Rway is 142685-19-6.
The molecular formula of ((11)C)(-)-Rway is C27H37N3O2.
The molecular weight of ((11)C)(-)-Rway is 435.28857 g/mol.
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