TL;DR: Morpholinium, 4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)-, bromide (CAS 105996-50-7) is a chemical compound with molecular formula C20H26BrNO3 and molecular weight 407.10962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol bromide
Also Known As: 4-(2-Hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)morpholinium bromide, Morpholinium, 4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)-, bromide, 3-naphthyloxy-1-(4-prop-2-enylmorpholin-4-yl)propan-2-ol, bromide, 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol bromide, 4-{2-Hydroxy-3-[(naphthalen-1-yl)oxy]propyl}-4-(prop-2-en-1-yl)morpholin-4-ium bromide
| Molecular Formula | C20H26BrNO3 |
| Molecular Weight | 407.10962 g/mol |
| XLogP | -0.3835 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.10962 Da |
| Heavy Atoms | 25 |
| Complexity | 394.0 |
| SMILES | C=CC[N+]1(CCOCC1)CC(COC2=CC=CC3=CC=CC=C32)O.[Br-] |
| InChIKey | IPFXCVKIUWSEEJ-UHFFFAOYSA-M |
The XLogP value of -0.3835 indicates that Morpholinium, 4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.7 Ų, Morpholinium, 4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholinium, 4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)-, bromide 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 Morpholinium, 4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)-, bromide is 105996-50-7.
The molecular formula of Morpholinium, 4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)-, bromide is C20H26BrNO3.
The molecular weight of Morpholinium, 4-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-4-(2-propenyl)-, bromide is 407.10962 g/mol.
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