TL;DR: (4aR,7aR)-Octahydro-1H-pyrrolo(3,4-b)pyridine (CAS 151213-40-0) is a chemical compound with molecular formula C7H14N2 and molecular weight 126.1157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
Also Known As: cis-Octahydropyrrolo[3,4-b]pyridine, (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine, CIS-OCTAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE, Moxifloxacin Impurity H, Moxifloxacin intermediate
| Molecular Formula | C7H14N2 |
| Molecular Weight | 126.1157 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.1157 Da |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| SMILES | C1C[C@@H]2CNC[C@@H]2NC1 |
| InChIKey | KSCPLKVBWDOSAI-RQJHMYQMSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,7aR)-Octahydro-1H-pyrrolo(3,4-b)pyridine. With a topological polar surface area (TPSA) of 24.1 Ų, (4aR,7aR)-Octahydro-1H-pyrrolo(3,4-b)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aR,7aR)-Octahydro-1H-pyrrolo(3,4-b)pyridine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4aR,7aR)-Octahydro-1H-pyrrolo(3,4-b)pyridine is 151213-40-0.
The molecular formula of (4aR,7aR)-Octahydro-1H-pyrrolo(3,4-b)pyridine is C7H14N2.
The molecular weight of (4aR,7aR)-Octahydro-1H-pyrrolo(3,4-b)pyridine is 126.1157 g/mol.
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