TL;DR: 9H-Xanthen-9-one, 2-(((1-(hydroxymethyl)propyl)amino)methyl)-, hydrochloride, (R)- (CAS 127001-50-7) is a chemical compound with molecular formula C18H20ClNO3 and molecular weight 333.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]xanthen-9-one;hydrochloride
Also Known As: 9H-Xanthen-9-one, 2-(((1-(hydroxymethyl)propyl)amino)methyl)-, hydrochloride, (R)-, Chlorowodorek R 2-N-(1'-hydroksybutylo-2'-amino)-metyloksantonu [Polish], Chlorowodorek R 2-N-(1'-hydroksybutylo-2'-amino)-metyloksantonu, (R)-2-(((1-(Hydroxymethyl)propyl)amino)methyl)-9H-xanthen-9-one hydrochloride, (S)-1-(2,4-Difluoro-phenyl)-2-(tetrahydro-pyran-2-yloxy)-propan-1-one
| Molecular Formula | C18H20ClNO3 |
| Molecular Weight | 333.11316 g/mol |
| XLogP | 3.2285 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.11316 Da |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
| SMILES | CC[C@H](CO)NCC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O.Cl |
| InChIKey | STFQIZOMWCVSPC-BTQNPOSSSA-N |
The XLogP value of 3.2285 indicates that 9H-Xanthen-9-one, 2-(((1-(hydroxymethyl)propyl)amino)methyl)-, hydrochloride, (R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 9H-Xanthen-9-one, 2-(((1-(hydroxymethyl)propyl)amino)methyl)-, hydrochloride, (R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Xanthen-9-one, 2-(((1-(hydroxymethyl)propyl)amino)methyl)-, hydrochloride, (R)- 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-(((1-(hydroxymethyl)propyl)amino)methyl)-, hydrochloride, (R)- is 127001-50-7.
The molecular formula of 9H-Xanthen-9-one, 2-(((1-(hydroxymethyl)propyl)amino)methyl)-, hydrochloride, (R)- is C18H20ClNO3.
The molecular weight of 9H-Xanthen-9-one, 2-(((1-(hydroxymethyl)propyl)amino)methyl)-, hydrochloride, (R)- is 333.11316 g/mol.
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