TL;DR: Tris(2,4-di-tert-butylphenyl) phosphite (CAS 31570-04-4) is a chemical compound with molecular formula C42H63O3P and molecular weight 646.4515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(2,4-ditert-butylphenyl) phosphite
Also Known As: Tris(2,4-di-tert-butylphenyl) phosphite, Irgafos 168, Antioxidant 168, Tris(2,4-ditert-butylphenyl) phosphite, Monostearin
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C42H63O3P |
| Molecular Weight | 646.4515 g/mol |
| XLogP | 15.5 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 646.4515 Da |
| Heavy Atoms | 46 |
| Complexity | 823.0 |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| InChIKey | JKIJEFPNVSHHEI-UHFFFAOYSA-N |
The XLogP value of 15.5 indicates that Tris(2,4-di-tert-butylphenyl) phosphite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Tris(2,4-di-tert-butylphenyl) phosphite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(2,4-di-tert-butylphenyl) phosphite has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tris(2,4-di-tert-butylphenyl) phosphite is 31570-04-4.
The molecular formula of Tris(2,4-di-tert-butylphenyl) phosphite is C42H63O3P.
The molecular weight of Tris(2,4-di-tert-butylphenyl) phosphite is 646.4515 g/mol.
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