TL;DR: Altoqualine (CAS 121029-11-6) is a chemical compound with molecular formula C27H36N2O8 and molecular weight 516.2472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-7-amino-4,5,6-triethoxy-3-[(1R)-6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one
Also Known As: Altoqualine, Altocualina, Altoqualine [INN], C27-H36--N2-O8, 458L
| Molecular Formula | C27H36N2O8 |
| Molecular Weight | 516.2472 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.2472 Da |
| Heavy Atoms | 37 |
| Complexity | 758.0 |
| SMILES | CCOC1=C(C(=C(C2=C1[C@H](OC2=O)[C@H]3C4=C(C(=C(C=C4CCN3C)OC)OC)OC)N)OCC)OCC |
| InChIKey | FPSZSEINEGCRIJ-IRLDBZIGSA-N |
The XLogP value of 3.8 indicates that Altoqualine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Altoqualine. Following Lipinski's Rule of Five, Altoqualine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Altoqualine is 121029-11-6.
The molecular formula of Altoqualine is C27H36N2O8.
The molecular weight of Altoqualine is 516.2472 g/mol.
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