TL;DR: 1,3-Bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide (CAS 1449218-80-7) is a chemical compound with molecular formula C18H22N2OP+ and molecular weight 313.14697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide
Also Known As: 1,3-Bis((R)-1-phenylethyl)-1,3,2-diazaphospholidine 2-oxide, 1,3,2-Diazaphospholidine, 1,3-bis[(1R)-1-phenylethyl]-, 2-oxide, 1,3-bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide, 1,3-bis(1-phenylethyl)-1,3,2lambda5-diazaphospholidine 2-oxide, C18H23N2OP
| Molecular Formula | C18H22N2OP+ |
| Molecular Weight | 313.14697 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.14697 Da |
| Heavy Atoms | 22 |
| Complexity | 343.0 |
| SMILES | CC(C1=CC=CC=C1)N2CCN([P+]2=O)C(C)C3=CC=CC=C3 |
| InChIKey | SEUOOVRQXGTIEI-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1,3-Bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 1,3-Bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide 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 1,3-Bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide is 1449218-80-7.
The molecular formula of 1,3-Bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide is C18H22N2OP+.
The molecular weight of 1,3-Bis(1-phenylethyl)-1,3,2-diazaphospholidin-2-ium 2-oxide is 313.14697 g/mol.
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