TL;DR: RefChem:316381 (CAS 102585-64-8) is a chemical compound with molecular formula C26H30ClNO3 and molecular weight 439.1914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-morpholin-4-ium-4-ylethoxy)-2,2,2-triphenylethanol chloride
Also Known As: 2,2,2-Triphenylacetic acid (2-morpholinoethyl) ester hydrochloride ethanoate, beta-4-Morpholine triphenylacetate monoalcoholate hydrochloride, 1-(2-morpholin-4-ium-4-ylethoxy)-2,2,2-triphenylethanol chloride, Acetic acid, 2,2,2-triphenyl-, (2-morpholinoethyl) ester, hydrochloride, ethanoate, 1-(2-morpholin-4-ium-4-ylethoxy)-2,2,2-triphenylethanol
| Molecular Formula | C26H30ClNO3 |
| Molecular Weight | 439.1914 g/mol |
| XLogP | -0.72 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.1914 Da |
| Heavy Atoms | 31 |
| Complexity | 429.0 |
| SMILES | C1COCC[NH+]1CCOC(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O.[Cl-] |
| InChIKey | NYJBIGCFHOWGQU-UHFFFAOYSA-N |
The XLogP value of -0.72 indicates that RefChem:316381 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, RefChem:316381 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:316381 has 2 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 RefChem:316381 is 102585-64-8.
The molecular formula of RefChem:316381 is C26H30ClNO3.
The molecular weight of RefChem:316381 is 439.1914 g/mol.
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