TL;DR: 1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1) (CAS 68298-30-6) is a chemical compound with molecular formula C72H140Br8CaO8P2 and molecular weight 1866.3116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium bis(bis(9,10-dibromooctadecyl) phosphate)
Also Known As: Calcium bis(bis-dibromooleylphosphate), C36H71Br4O4P.1/2Ca, C36-H71-Br4-O4-P.1/2Ca, Calcium tetrakis(9,10-dibromooctadecyl) bis(phosphate), 1-Octadecanol, 9,10-dibromo-, hydrogen phosphate, calcium salt
| Molecular Formula | C72H140Br8CaO8P2 |
| Molecular Weight | 1866.3116 g/mol |
| XLogP | 28.63 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 72 |
| Exact Mass | 1874.3035 Da |
| Heavy Atoms | 91 |
| Complexity | 602.0 |
| SMILES | CCCCCCCCC(C(CCCCCCCCOP(=O)([O-])OCCCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br.CCCCCCCCC(C(CCCCCCCCOP(=O)([O-])OCCCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br.[Ca+2] |
| InChIKey | MMIXQENPPAELDP-UHFFFAOYSA-L |
The XLogP value of 28.63 indicates that 1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1). Following Lipinski's Rule of Five, 1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1) is 68298-30-6.
The molecular formula of 1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1) is C72H140Br8CaO8P2.
The molecular weight of 1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1) is 1866.3116 g/mol.
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