TL;DR: 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(4-morpholinylmethyl)- (CAS 104502-50-3) is a chemical compound with molecular formula C11H16BrNO3 and molecular weight 289.03137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-4,5-dimethyl-5-(morpholin-4-ylmethyl)furan-2-one
Also Known As: 3-Bromo-4,5-dimethyl-5-(4-morpholinylmethyl)-2(5H)-furanone, 2(5H)-FURANONE, 3-BROMO-4,5-DIMETHYL-5-(4-MORPHOLINYLMETHYL)-, 3-bromo-4,5-dimethyl-5-(morpholin-4-ylmethyl)furan-2-one, 3-bromo-4,5-dimethyl-5-(morpholin-4-ylmethyl)furan-2(5h)-one, 3-Bromo-4,5-dimethyl-5-[(morpholin-4-yl)methyl]furan-2(5H)-one
| Molecular Formula | C11H16BrNO3 |
| Molecular Weight | 289.03137 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.03137 Da |
| Heavy Atoms | 16 |
| Complexity | 336.0 |
| SMILES | CC1=C(C(=O)OC1(C)CN2CCOCC2)Br |
| InChIKey | MXWUYBSUZOJYBE-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(4-morpholinylmethyl)-. With a topological polar surface area (TPSA) of 38.8 Ų, 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(4-morpholinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(4-morpholinylmethyl)- has 0 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 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(4-morpholinylmethyl)- is 104502-50-3.
The molecular formula of 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(4-morpholinylmethyl)- is C11H16BrNO3.
The molecular weight of 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(4-morpholinylmethyl)- is 289.03137 g/mol.
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