TL;DR: 9H-Xanthen-9-one, 2-(((2-hydroxypropyl)amino)methyl)-, hydrochloride, (+-)- (CAS 126929-74-6) is a chemical compound with molecular formula C17H18ClNO3 and molecular weight 319.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-hydroxypropylamino)methyl]xanthen-9-one;hydrochloride
Also Known As: (+-)-2-(((2-Hydroxypropyl)amino)methyl)-9H-xanthen-9-one hydrochloride, 9H-Xanthen-9-one, 2-(((2-hydroxypropyl)amino)methyl)-, hydrochloride, (+-)-, 2-[(2-hydroxypropylamino)methyl]xanthen-9-one hydrochloride, 2-[(2-hydroxypropylamino)methyl]xanthen-9-one,hydrochloride, 2-{[(2-Hydroxypropyl)amino]methyl}-9H-xanthen-9-one--hydrogen chloride (1/1)
| Molecular Formula | C17H18ClNO3 |
| Molecular Weight | 319.09753 g/mol |
| XLogP | 2.8384 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.09753 Da |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
| SMILES | CC(CNCC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)O.Cl |
| InChIKey | QQZWEFACGYUTEP-UHFFFAOYSA-N |
The XLogP value of 2.8384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Xanthen-9-one, 2-(((2-hydroxypropyl)amino)methyl)-, hydrochloride, (+-)-. With a topological polar surface area (TPSA) of 58.6 Ų, 9H-Xanthen-9-one, 2-(((2-hydroxypropyl)amino)methyl)-, hydrochloride, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Xanthen-9-one, 2-(((2-hydroxypropyl)amino)methyl)-, hydrochloride, (+-)- has 3 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 9H-Xanthen-9-one, 2-(((2-hydroxypropyl)amino)methyl)-, hydrochloride, (+-)- is 126929-74-6.
The molecular formula of 9H-Xanthen-9-one, 2-(((2-hydroxypropyl)amino)methyl)-, hydrochloride, (+-)- is C17H18ClNO3.
The molecular weight of 9H-Xanthen-9-one, 2-(((2-hydroxypropyl)amino)methyl)-, hydrochloride, (+-)- is 319.09753 g/mol.
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