TL;DR: Phosphoric acid, bis(2,6-dimethylphenyl) 2,4,6-trimethylphenyl ester (CAS 73179-37-0) is a chemical compound with molecular formula C25H29O4P and molecular weight 424.18036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2,6-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate
Also Known As: Di(2,6-dimethylphenyl) 2,4,6-trimethylphenyl phosphate, Bis(2,6-xylyl) 2,4,6-trimethylphenyl phosphate, bis(2,6-dimethylphenyl) 2,4,6-trimethylphenyl phosphate, bis(2,6-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate, Phosphoric acid, bis(2,6-dimethylphenyl) 2,4,6-trimethylphenyl ester
| Molecular Formula | C25H29O4P |
| Molecular Weight | 424.18036 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.18036 Da |
| Heavy Atoms | 30 |
| Complexity | 532.0 |
| SMILES | CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)OC3=C(C=C(C=C3C)C)C |
| InChIKey | NUKOOAMABQWBHG-UHFFFAOYSA-N |
The XLogP value of 7.5 indicates that Phosphoric acid, bis(2,6-dimethylphenyl) 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, bis(2,6-dimethylphenyl) 2,4,6-trimethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, bis(2,6-dimethylphenyl) 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, bis(2,6-dimethylphenyl) 2,4,6-trimethylphenyl ester is 73179-37-0.
The molecular formula of Phosphoric acid, bis(2,6-dimethylphenyl) 2,4,6-trimethylphenyl ester is C25H29O4P.
The molecular weight of Phosphoric acid, bis(2,6-dimethylphenyl) 2,4,6-trimethylphenyl ester is 424.18036 g/mol.
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