TL;DR: WAY-100289 maleate (CAS 136013-70-2) is a chemical compound with molecular formula C24H31N3O7 and molecular weight 473.2162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;2-(cyclopropylmethoxy)-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamoyl]benzamide
Also Known As: WAY-100289 maleate, Way 100289, Benzamide, 2-(cyclopropylmethoxy)-N-(((8-methyl-8-azabicyclo(3.2.1)oct-3-yl)amino)carbonyl)-, endo-, (2Z)-2-butenedioate (1:1), (Z)-but-2-enedioic acid; 2-(cyclopropylmethoxy)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamoyl]benzamide
| Molecular Formula | C24H31N3O7 |
| Molecular Weight | 473.2162 g/mol |
| XLogP | 2.2518 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.2162 Da |
| Heavy Atoms | 34 |
| Complexity | 641.0 |
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)NC(=O)C3=CC=CC=C3OCC4CC4.C(=C\C(=O)O)\C(=O)O |
| InChIKey | WSQXJOSWCXAIIL-HOKGXPRBSA-N |
The XLogP value of 2.2518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WAY-100289 maleate. The TPSA of 145.0 Ų indicates high polarity, suggesting WAY-100289 maleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WAY-100289 maleate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of WAY-100289 maleate is 136013-70-2.
The molecular formula of WAY-100289 maleate is C24H31N3O7.
The molecular weight of WAY-100289 maleate is 473.2162 g/mol.
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