TL;DR: 4-(1-Methylethyl)phenyl diphenyl phosphate (CAS 55864-04-5) is a chemical compound with molecular formula C21H21O4P and molecular weight 368.11774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diphenyl (4-propan-2-ylphenyl) phosphate
Also Known As: Diphenyl p-isopropylphenyl phosphate, 4-ISOPROPYLPHENYL DIPHENYL PHOSPHATE, p-Cumenyl phenyl phosphate, diphenyl (4-propan-2-ylphenyl) phosphate, p-Isopropylphenyl diphenyl phosphate
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H21O4P |
| Molecular Weight | 368.11774 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.11774 Da |
| Heavy Atoms | 26 |
| Complexity | 423.0 |
| SMILES | CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| InChIKey | JUHFQCKQQLMGAB-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 4-(1-Methylethyl)phenyl diphenyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 4-(1-Methylethyl)phenyl diphenyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Methylethyl)phenyl diphenyl phosphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(1-Methylethyl)phenyl diphenyl phosphate is 55864-04-5.
The molecular formula of 4-(1-Methylethyl)phenyl diphenyl phosphate is C21H21O4P.
The molecular weight of 4-(1-Methylethyl)phenyl diphenyl phosphate is 368.11774 g/mol.
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