TL;DR: [1-(2-Diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (CAS 152646-80-5) is a chemical compound with molecular formula C44H32OP2 and molecular weight 638.1928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
Also Known As: racemic BINAP, binap oxide, BINAP, mono-oxide, Vortioxetine Impurity 119, rac-BINAP mono-Phosphine Oxide
| Molecular Formula | C44H32OP2 |
| Molecular Weight | 638.1928 g/mol |
| XLogP | 10.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 638.1928 Da |
| Heavy Atoms | 47 |
| Complexity | 976.0 |
| SMILES | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8 |
| InChIKey | YWXXETUGBNOVBK-UHFFFAOYSA-N |
The XLogP value of 10.9 indicates that [1-(2-Diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, [1-(2-Diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(2-Diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [1-(2-Diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is 152646-80-5.
The molecular formula of [1-(2-Diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is C44H32OP2.
The molecular weight of [1-(2-Diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is 638.1928 g/mol.
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