TL;DR: SC 53116 (CAS 141196-99-8) is a chemical compound with molecular formula C16H22ClN3O2 and molecular weight 323.14005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide
Also Known As: GTPL238, SC 53116, SC-53116 hydrochloride hydrate, SC-53116 HCl, PDSP2_001604
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H22ClN3O2 |
| Molecular Weight | 323.14005 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.14005 Da |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
| SMILES | COC1=CC(=C(C=C1C(=O)NC[C@@H]2CCN3[C@H]2CCC3)Cl)N |
| InChIKey | GAYSOZKZPOVDSB-HZMBPMFUSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SC 53116. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for SC 53116. Following Lipinski's Rule of Five, SC 53116 has 2 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 SC 53116 is 141196-99-8.
The molecular formula of SC 53116 is C16H22ClN3O2.
The molecular weight of SC 53116 is 323.14005 g/mol.
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