TL;DR: 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(1-pyrrolidinylmethyl)- (CAS 104502-48-9) is a chemical compound with molecular formula C11H16BrNO2 and molecular weight 273.03644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-4,5-dimethyl-5-(pyrrolidin-1-ylmethyl)furan-2-one
Also Known As: 3-Bromo-4,5-dimethyl-5-(1-pyrrolidinylmethyl)-2(5H)-furanone, 2(5H)-FURANONE, 3-BROMO-4,5-DIMETHYL-5-(1-PYRROLIDINYLMETHYL)-, 3-bromo-4,5-dimethyl-5-(pyrrolidin-1-ylmethyl)furan-2-one, 3-bromo-4,5-dimethyl-5-(pyrrolidin-1-ylmethyl)furan-2(5h)-one, 3-Bromo-4,5-dimethyl-5-[(pyrrolidin-1-yl)methyl]furan-2(5H)-one
| Molecular Formula | C11H16BrNO2 |
| Molecular Weight | 273.03644 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.03644 Da |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
| SMILES | CC1=C(C(=O)OC1(C)CN2CCCC2)Br |
| InChIKey | BKHRJLZCGLOQLR-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(1-pyrrolidinylmethyl)-. With a topological polar surface area (TPSA) of 29.5 Ų, 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(1-pyrrolidinylmethyl)- 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-(1-pyrrolidinylmethyl)- has 0 hydrogen bond donor(s) and 3 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-(1-pyrrolidinylmethyl)- is 104502-48-9.
The molecular formula of 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(1-pyrrolidinylmethyl)- is C11H16BrNO2.
The molecular weight of 2(5H)-Furanone, 3-bromo-4,5-dimethyl-5-(1-pyrrolidinylmethyl)- is 273.03644 g/mol.
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