TL;DR: Aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone (CAS 15257-79-1) 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.
aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone
Also Known As: aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone, (Aziridin-1-yl)(3,4,5-trimethoxyphenyl)methanone, Methanone, 1-aziridinyl(3,4,5-trimethoxyphenyl)-
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.10011 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.10011 Da |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CC2 |
| InChIKey | ZVUQWHQTSBXQFP-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone. With a topological polar surface area (TPSA) of 47.8 Ų, Aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone 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 Aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone is 15257-79-1.
The molecular formula of Aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone is C12H15NO4.
The molecular weight of Aziridin-1-yl-(3,4,5-trimethoxyphenyl)methanone is 237.10011 g/mol.
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