TL;DR: cis-8-Benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]-nonane (Relative stereochemistry) (CAS 161594-55-4) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,7aR)-6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
Also Known As: J2.956.571F, AR-011/42531514, 6-Benzyl-octahydro-1h-pyrrolo[3,4-b]pyridine-5,7-dione, cis, (4aS,7aR)-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione, (4AS,7aR)-6-benzylhexahydro-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.12119 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.12119 Da |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
| SMILES | C1C[C@H]2[C@H](C(=O)N(C2=O)CC3=CC=CC=C3)NC1 |
| InChIKey | RRBLNPCNHNHAFW-NWDGAFQWSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-8-Benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]-nonane (Relative stereochemistry). With a topological polar surface area (TPSA) of 49.4 Ų, cis-8-Benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]-nonane (Relative stereochemistry) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-8-Benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]-nonane (Relative stereochemistry) 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 cis-8-Benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]-nonane (Relative stereochemistry) is 161594-55-4.
The molecular formula of cis-8-Benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]-nonane (Relative stereochemistry) is C14H16N2O2.
The molecular weight of cis-8-Benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]-nonane (Relative stereochemistry) is 244.12119 g/mol.
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