TL;DR: 3,5-Bis-bromomethyl-phenol (CAS 135990-12-4) is a chemical compound with molecular formula C8H8Br2O and molecular weight 277.8942 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(bromomethyl)phenol
Also Known As: 3,5-Di(bromomethyl)phenol, 3,5-bis(bromomethyl)phenol, 3,5-di-(bromomethyl)phenol, 3,5-BIS-BROMOMETHYL-PHENOL, J1.079.404H
| Molecular Formula | C8H8Br2O |
| Molecular Weight | 277.8942 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.8942 Da |
| Heavy Atoms | 11 |
| Complexity | 107.0 |
| SMILES | C1=C(C=C(C=C1CBr)O)CBr |
| InChIKey | APVHBKWRCCBVFK-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis-bromomethyl-phenol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,5-Bis-bromomethyl-phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis-bromomethyl-phenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,5-Bis-bromomethyl-phenol is 135990-12-4.
The molecular formula of 3,5-Bis-bromomethyl-phenol is C8H8Br2O.
The molecular weight of 3,5-Bis-bromomethyl-phenol is 277.8942 g/mol.
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