TL;DR: Isoxazolidine, 2-(3,4-dimethoxybenzoyl)- (CAS 30292-03-6) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4-dimethoxyphenyl)-(1,2-oxazolidin-2-yl)methanone
Also Known As: 2-Veratroyl-isoxazolidine, 2-(3,4-Dimethoxybenzoyl)isoxazolidine, ISOXAZOLIDINE, 2-VERATROYL-, Isoxazolidine, 2-(3,4-dimethoxybenzoyl)-, 2-(3,4-dimethoxy-benzoyl)-isoxazolidine
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.10011 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.10011 Da |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCCO2)OC |
| InChIKey | FGPUFXOHYFCMIN-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazolidine, 2-(3,4-dimethoxybenzoyl)-. With a topological polar surface area (TPSA) of 48.0 Ų, Isoxazolidine, 2-(3,4-dimethoxybenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazolidine, 2-(3,4-dimethoxybenzoyl)- 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 Isoxazolidine, 2-(3,4-dimethoxybenzoyl)- is 30292-03-6.
The molecular formula of Isoxazolidine, 2-(3,4-dimethoxybenzoyl)- is C12H15NO4.
The molecular weight of Isoxazolidine, 2-(3,4-dimethoxybenzoyl)- is 237.10011 g/mol.
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