TL;DR: Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester (CAS 34364-42-6) is a chemical compound with molecular formula C27H25O4P and molecular weight 444.14905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diphenyl (3-phenyl-5-propan-2-ylphenyl) phosphate
Also Known As: CUMYLPHENYL DIPHENYL PHOSPHATE, (1-Methyl-1-phenylethyl)phenyl diphenyl phosphate, diphenyl (3-phenyl-5-propan-2-ylphenyl) phosphate, Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester, EINECS 251-965-1
| Molecular Formula | C27H25O4P |
| Molecular Weight | 444.14905 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.14905 Da |
| Heavy Atoms | 32 |
| Complexity | 566.0 |
| SMILES | CC(C)C1=CC(=CC(=C1)C2=CC=CC=C2)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4 |
| InChIKey | KMLCDKUGVGTGBJ-UHFFFAOYSA-N |
The XLogP value of 7.7 indicates that Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester is 34364-42-6.
The molecular formula of Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester is C27H25O4P.
The molecular weight of Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester is 444.14905 g/mol.
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