TL;DR: Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro- (CAS 50585-40-5) 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.
2,3-dibromo-7,8-dichlorodibenzo-p-dioxin
Also Known As: 2,3-DIBROMO-7,8-DICHLORODIBENZO-P-DIOXIN, 2,3-dibromo-7,8-dichlorooxanthrene, 2,3-dibromo,7,8-dichloro-dibenzo-dioxin, 2,3-Dibromo-7,8-dichlorodibenzodioxin, Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro-
| Molecular Formula | C12H4Br2Cl2O2 |
| Molecular Weight | 407.7955 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 409.79346 Da |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| SMILES | C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Br)Br |
| InChIKey | SBSJXPIUKNBZND-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro- is 50585-40-5.
The molecular formula of Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro- is C12H4Br2Cl2O2.
The molecular weight of Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro- is 407.7955 g/mol.
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