TL;DR: tks159 (CAS 142228-17-9) is a chemical compound with molecular formula C15H22ClN3O3 and molecular weight 327.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-chloro-N-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxybenzamide
Also Known As: tks159, Metoclopramide Impurity 38, 4-amino-5-chloro-2methoxy-N-[(2s,4s)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl]benzamide, 4-amino-5-chloro-N-[(3S,5S)-1-ethyl-5-(hydroxymethyl)pyrrolidin-3-yl]-2-methoxybenzamide, 4-amino-5-chloro-2-methoxy-N-[(2S,4S)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl ] benzamide
| Molecular Formula | C15H22ClN3O3 |
| Molecular Weight | 327.13498 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.13498 Da |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
| SMILES | CCN1C[C@H](C[C@H]1CO)NC(=O)C2=CC(=C(C=C2OC)N)Cl |
| InChIKey | DXCDZNHWSCWICI-UWVGGRQHSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tks159. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for tks159. Following Lipinski's Rule of Five, tks159 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of tks159 is 142228-17-9.
The molecular formula of tks159 is C15H22ClN3O3.
The molecular weight of tks159 is 327.13498 g/mol.
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