TL;DR: 2-Bromo-1,3-bis-dibromomethyl-benzene (CAS 135590-51-1) is a chemical compound with molecular formula C8H5Br5 and molecular weight 495.6308 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1,3-bis(dibromomethyl)benzene
Also Known As: 2-bromo-1,3-bis(dibromomethyl)benzene, 1-bromo-2,6-bis(dibromomethyl)benzene, 2-BROMO-1,3-BIS-DIBROMOMETHYL-BENZENE, Benzene, 2-bromo-1,3-bis(dibromomethyl)-, J3.642.744B
| Molecular Formula | C8H5Br5 |
| Molecular Weight | 495.6308 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 495.6308 Da |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
| SMILES | C1=CC(=C(C(=C1)C(Br)Br)Br)C(Br)Br |
| InChIKey | CVEIWLXYEJNDAY-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 2-Bromo-1,3-bis-dibromomethyl-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Bromo-1,3-bis-dibromomethyl-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,3-bis-dibromomethyl-benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Bromo-1,3-bis-dibromomethyl-benzene is 135590-51-1.
The molecular formula of 2-Bromo-1,3-bis-dibromomethyl-benzene is C8H5Br5.
The molecular weight of 2-Bromo-1,3-bis-dibromomethyl-benzene is 495.6308 g/mol.
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