TL;DR: RefChem:1078544 (CAS 131963-34-3) is a chemical compound with molecular formula C17H23NO7 and molecular weight 353.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;2-(morpholin-2-ylmethoxy)-1-phenylethanol
Also Known As: (1R,2'S)-1-Phenyl-2-((morpholin-2-yl)methoxy)ethanol maleate, Benzenemethanol, alpha-((2-morpholinylmethoxy)methyl)-, (R-(R*,S*))-, (Z)-2-butenedioate (salt), (Z)-but-2-enedioic acid; 2-(morpholin-2-ylmethoxy)-1-phenylethanol, Benzenemethanol, alpha-((2-morpholinylmethoxy)methyl)-, (S-(R*,S*))-, (Z)-2-butenedioate (salt)
| Molecular Formula | C17H23NO7 |
| Molecular Weight | 353.14746 g/mol |
| XLogP | 0.4368 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.14746 Da |
| Heavy Atoms | 25 |
| Complexity | 326.0 |
| SMILES | C1COC(CN1)COCC(C2=CC=CC=C2)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | XCTOPEMYUVHSHE-BTJKTKAUSA-N |
The XLogP value of 0.4368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078544. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078544. Following Lipinski's Rule of Five, RefChem:1078544 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:1078544 is 131963-34-3.
The molecular formula of RefChem:1078544 is C17H23NO7.
The molecular weight of RefChem:1078544 is 353.14746 g/mol.
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