TL;DR: 1,4-Dibromo-2,5-bis(octyloxy)benzene (CAS 156028-40-9) is a chemical compound with molecular formula C22H36Br2O2 and molecular weight 490.10822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dibromo-2,5-dioctoxybenzene
Also Known As: 1,4-dibromo-2,5-dioctoxybenzene, 1,4-DIBROMO-2,5-BIS(OCTYLOXY)BENZENE, 1,4-dibromo-2,5-dioctyloxybezene, 1,4-dibromo-2,5-dioctyloxybenzene, 2,5-dibromo-1,4-dioctyloxybenzene
| Molecular Formula | C22H36Br2O2 |
| Molecular Weight | 490.10822 g/mol |
| XLogP | 10.1 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 490.10822 Da |
| Heavy Atoms | 26 |
| Complexity | 285.0 |
| SMILES | CCCCCCCCOC1=CC(=C(C=C1Br)OCCCCCCCC)Br |
| InChIKey | MJMCDNUIQSZJKE-UHFFFAOYSA-N |
The XLogP value of 10.1 indicates that 1,4-Dibromo-2,5-bis(octyloxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Dibromo-2,5-bis(octyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibromo-2,5-bis(octyloxy)benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Dibromo-2,5-bis(octyloxy)benzene is 156028-40-9.
The molecular formula of 1,4-Dibromo-2,5-bis(octyloxy)benzene is C22H36Br2O2.
The molecular weight of 1,4-Dibromo-2,5-bis(octyloxy)benzene is 490.10822 g/mol.
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