TL;DR: Phosphoric acid, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl ester (CAS 73179-42-7) is a chemical compound with molecular formula C23H25O4P and molecular weight 396.14905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,5-dimethylphenyl) phenyl (2,4,6-trimethylphenyl) phosphate
Also Known As: Phenyl 2,4,6-trimethylphenyl 2,5-xylyl phosphate, Phosphoric acid, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl ester, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl phosphate, (2,5-dimethylphenyl) phenyl (2,4,6-trimethylphenyl) phosphate
| Molecular Formula | C23H25O4P |
| Molecular Weight | 396.14905 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.14905 Da |
| Heavy Atoms | 28 |
| Complexity | 521.0 |
| SMILES | CC1=CC(=C(C=C1)C)OP(=O)(OC2=CC=CC=C2)OC3=C(C=C(C=C3C)C)C |
| InChIKey | GAXLXTMTKDGWEF-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that Phosphoric acid, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl 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, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl 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, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl ester is 73179-42-7.
The molecular formula of Phosphoric acid, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl ester is C23H25O4P.
The molecular weight of Phosphoric acid, 2,5-dimethylphenyl phenyl 2,4,6-trimethylphenyl ester is 396.14905 g/mol.
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