TL;DR: (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid (CAS 1285918-53-7) is a chemical compound with molecular formula C20H27NO6S and molecular weight 409.1559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
Also Known As: Reboxetine mesylate, (S,S)-reboxetine (mesylate)
| Molecular Formula | C20H27NO6S |
| Molecular Weight | 409.1559 g/mol |
| XLogP | 2.6978 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.1559 Da |
| Heavy Atoms | 28 |
| Complexity | 425.0 |
| SMILES | CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3.CS(=O)(=O)O |
| InChIKey | CGTZMJIMMUNLQD-HLRBRJAUSA-N |
The XLogP value of 2.6978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid. Following Lipinski's Rule of Five, (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid is 1285918-53-7.
The molecular formula of (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid is C20H27NO6S.
The molecular weight of (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid is 409.1559 g/mol.
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