TL;DR: Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R,5R)-5-isopropyl-2-methylcyclohexyl borate (CAS 1030283-81-8) is a chemical compound with molecular formula C30H57BO3 and molecular weight 476.44006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] borate
Also Known As: Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R,5R)-5-isopropyl-2-methylcyclohexyl borate, [(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] borate, Bis[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl] (1S,2R,5R)-2-methyl-5-(propan-2-yl)cyclohexyl borate
| Molecular Formula | C30H57BO3 |
| Molecular Weight | 476.44006 g/mol |
| XLogP | 8.4035 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.44006 Da |
| Heavy Atoms | 34 |
| Complexity | 560.0 |
| SMILES | B(O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)(O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)O[C@H]3C[C@@H](CC[C@H]3C)C(C)C |
| InChIKey | UANWNNJDVSQHCS-ZMSJDGBJSA-N |
The XLogP value of 8.4035 indicates that Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R,5R)-5-isopropyl-2-methylcyclohexyl borate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R,5R)-5-isopropyl-2-methylcyclohexyl borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R,5R)-5-isopropyl-2-methylcyclohexyl borate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R,5R)-5-isopropyl-2-methylcyclohexyl borate is 1030283-81-8.
The molecular formula of Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R,5R)-5-isopropyl-2-methylcyclohexyl borate is C30H57BO3.
The molecular weight of Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R,5R)-5-isopropyl-2-methylcyclohexyl borate is 476.44006 g/mol.
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