TL;DR: Apomine (CAS 126411-13-0) is a chemical compound with molecular formula C28H52O7P2 and molecular weight 562.31885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-2,6-ditert-butylphenol
Also Known As: Apomine, SR 9223i, SKF 99085, SR 45023A, APB-231-A2
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H52O7P2 |
| Molecular Weight | 562.31885 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 562.31885 Da |
| Heavy Atoms | 37 |
| Complexity | 705.0 |
| SMILES | CC(C)OP(=O)(C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)C |
| InChIKey | YLJOVCWVJCDPLN-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that Apomine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Apomine. Following Lipinski's Rule of Five, Apomine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Apomine is 126411-13-0.
The molecular formula of Apomine is C28H52O7P2.
The molecular weight of Apomine is 562.31885 g/mol.
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