TL;DR: 1-(4-Methylbenzene-1-sulfonyl)-2,3-diphenylaziridine (CAS 147054-74-8) is a chemical compound with molecular formula C21H19NO2S and molecular weight 349.11365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)sulfonyl-2,3-diphenylaziridine
Also Known As: 2,3-DIPHENYL-1-TOSYLAZIRIDINE, 1- -2,3-diphenylaziridine, 1-Tosyl-2,3-diphenylaziridine, 1-(4-methylphenyl)sulfonyl-2,3-diphenylaziridine, Aziridine, 1-[(4-methylphenyl)sulfonyl]-2,3-diphenyl-
| Molecular Formula | C21H19NO2S |
| Molecular Weight | 349.11365 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.11365 Da |
| Heavy Atoms | 25 |
| Complexity | 511.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(C2C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | GAZMCGHPHRQBPT-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1-(4-Methylbenzene-1-sulfonyl)-2,3-diphenylaziridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 1-(4-Methylbenzene-1-sulfonyl)-2,3-diphenylaziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylbenzene-1-sulfonyl)-2,3-diphenylaziridine 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 1-(4-Methylbenzene-1-sulfonyl)-2,3-diphenylaziridine is 147054-74-8.
The molecular formula of 1-(4-Methylbenzene-1-sulfonyl)-2,3-diphenylaziridine is C21H19NO2S.
The molecular weight of 1-(4-Methylbenzene-1-sulfonyl)-2,3-diphenylaziridine is 349.11365 g/mol.
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