TL;DR: CID 113596 (CAS 101544-98-3) is a chemical compound with molecular formula C56H96N2O8 and molecular weight 924.7167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-ditridecyl benzene-1,2,3,4-tetracarboxylate
Also Known As: 1,2,3,4-Butanetetracarboxylic acid, mixed 1,2,2,6,6-pentamethyl-4-piperidinyl and tridecyl tetraesters, 1,2,2,6,6-Pentamethyl-4-piperidyl/tridecyl 1,2,3,4-butanetetracarboxylate, 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,4-ditridecyl benzene-1,2,3,4-tetracarboxylate, 2-O,4-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O,3-O-ditridecyl benzene-1,2,3,4-tetracarboxylate
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C56H96N2O8 |
| Molecular Weight | 924.7167 g/mol |
| XLogP | 17.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 34 |
| Exact Mass | 924.7167 Da |
| Heavy Atoms | 66 |
| Complexity | 1410.0 |
| SMILES | CCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)C(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C(=O)OCCCCCCCCCCCCC)C(=O)OC3CC(N(C(C3)(C)C)C)(C)C |
| InChIKey | UPWDGFMHNPOYMU-UHFFFAOYSA-N |
The XLogP value of 17.2 indicates that CID 113596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 113596. Following Lipinski's Rule of Five, CID 113596 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CID 113596 is 101544-98-3.
The molecular formula of CID 113596 is C56H96N2O8.
The molecular weight of CID 113596 is 924.7167 g/mol.
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