TL;DR: 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide (CAS 31842-61-2) is a chemical compound with molecular formula C12H18BrNO3 and molecular weight 303.047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol;hydrobromide
Also Known As: Rimiterol Hydrobromide, Rimiterol HBr, Pulmadil, Asmaten, Rimiterol Hydrobromide [USAN]
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H18BrNO3 |
| Molecular Weight | 303.047 g/mol |
| XLogP | 1.85 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.047 Da |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
| SMILES | C1CCN[C@H](C1)[C@H](C2=CC(=C(C=C2)O)O)O.Br |
| InChIKey | QPYZEEKXUYXZBK-KATIXKQHSA-N |
The XLogP value of 1.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide. Following Lipinski's Rule of Five, 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide has 5 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 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide is 31842-61-2.
The molecular formula of 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide is C12H18BrNO3.
The molecular weight of 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide is 303.047 g/mol.
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