TL;DR: 1,9-Dibromo-2,6-dichlorooxanthrene (CAS 122418-80-8) is a chemical compound with molecular formula C12H4Br2Cl2O2 and molecular weight 407.7955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,9-dibromo-2,6-dichlorodibenzo-p-dioxin
Also Known As: 1,9-Dibromo-2,6-dichlorooxanthrene, 1,9-dibromo-2,6-dichloro-dibenzo-p-dioxin, 1,9-dibromo-2,6-dichlorodibenzo-p-dioxin
| Molecular Formula | C12H4Br2Cl2O2 |
| Molecular Weight | 407.7955 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 407.7955 Da |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
| SMILES | C1=CC(=C(C2=C1OC3=C(C=CC(=C3O2)Br)Cl)Br)Cl |
| InChIKey | GVDHFJVLZODYLU-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 1,9-Dibromo-2,6-dichlorooxanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,9-Dibromo-2,6-dichlorooxanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9-Dibromo-2,6-dichlorooxanthrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,9-Dibromo-2,6-dichlorooxanthrene is 122418-80-8.
The molecular formula of 1,9-Dibromo-2,6-dichlorooxanthrene is C12H4Br2Cl2O2.
The molecular weight of 1,9-Dibromo-2,6-dichlorooxanthrene is 407.7955 g/mol.
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