TL;DR: 4-Morpholin-4-yl-1-(3-phenylprop-2-ynyloxy)but-2-yne, chloride (CAS 1052528-32-1) is a chemical compound with molecular formula C17H20ClNO2 and molecular weight 305.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;hydrochloride
Also Known As: 4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine hydrochloride, 4-morpholin-4-yl-1-(3-phenylprop-2-ynyloxy)but-2-yne, chloride, 4-(4-((3-phenylprop-2-yn-1-yl)oxy)but-2-yn-1-yl)morpholine hydrochloride
| Molecular Formula | C17H20ClNO2 |
| Molecular Weight | 305.11826 g/mol |
| XLogP | 1.8121 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.11826 Da |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
| SMILES | C1COCCN1CC#CCOCC#CC2=CC=CC=C2.Cl |
| InChIKey | PBCFHQFJBKVOQB-UHFFFAOYSA-N |
The XLogP value of 1.8121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholin-4-yl-1-(3-phenylprop-2-ynyloxy)but-2-yne, chloride. With a topological polar surface area (TPSA) of 21.7 Ų, 4-Morpholin-4-yl-1-(3-phenylprop-2-ynyloxy)but-2-yne, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Morpholin-4-yl-1-(3-phenylprop-2-ynyloxy)but-2-yne, chloride has 1 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-Morpholin-4-yl-1-(3-phenylprop-2-ynyloxy)but-2-yne, chloride is 1052528-32-1.
The molecular formula of 4-Morpholin-4-yl-1-(3-phenylprop-2-ynyloxy)but-2-yne, chloride is C17H20ClNO2.
The molecular weight of 4-Morpholin-4-yl-1-(3-phenylprop-2-ynyloxy)but-2-yne, chloride is 305.11826 g/mol.
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