TL;DR: Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester (CAS 139189-30-3) is a chemical compound with molecular formula C38H40O8P2 and molecular weight 686.21985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl] bis(2,6-dimethylphenyl) phosphate
Also Known As: Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester, EC 432-770-2, Tetrakis(2,6-dimethylphenyl) 1,3-phenylene bisphosphate, MSK156755-100T, MSK156755-1000T
| Molecular Formula | C38H40O8P2 |
| Molecular Weight | 686.21985 g/mol |
| XLogP | 10.9 |
| Topological Polar Surface Area (TPSA) | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 686.21985 Da |
| Heavy Atoms | 48 |
| Complexity | 919.0 |
| SMILES | CC1=C(C(=CC=C1)C)OP(=O)(OC2=CC(=CC=C2)OP(=O)(OC3=C(C=CC=C3C)C)OC4=C(C=CC=C4C)C)OC5=C(C=CC=C5C)C |
| InChIKey | YOLFSLXHLNWPKG-UHFFFAOYSA-N |
The XLogP value of 10.9 indicates that Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester. Following Lipinski's Rule of Five, Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester is 139189-30-3.
The molecular formula of Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester is C38H40O8P2.
The molecular weight of Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester is 686.21985 g/mol.
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