TL;DR: Aziridine, 1-((p-tolyloxy)acetyl)- (CAS 78961-68-9) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(aziridin-1-yl)-2-(4-methylphenoxy)ethanone
Also Known As: 1-((p-Tolyloxy)acetyl)aziridine, AZIRIDINE, 1-((p-TOLYLOXY)ACETYL)-, 1-[(p-Tolyloxy)acetyl]aziridine, 1-(aziridin-1-yl)-2-(4-methylphenoxy)ethanone, 1-Aziridinyl[(p-tolyloxy)methyl] ketone
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.09464 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.09464 Da |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
| SMILES | CC1=CC=C(C=C1)OCC(=O)N2CC2 |
| InChIKey | YVWCNHGLSDUAQM-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aziridine, 1-((p-tolyloxy)acetyl)-. With a topological polar surface area (TPSA) of 29.3 Ų, Aziridine, 1-((p-tolyloxy)acetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aziridine, 1-((p-tolyloxy)acetyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Aziridine, 1-((p-tolyloxy)acetyl)- is 78961-68-9.
The molecular formula of Aziridine, 1-((p-tolyloxy)acetyl)- is C11H13NO2.
The molecular weight of Aziridine, 1-((p-tolyloxy)acetyl)- is 191.09464 g/mol.
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