TL;DR: Dibenzo(b,e)(1,4)dioxin, 1,2,4,7,8-pentabromo- (CAS 119269-73-7) is a chemical compound with molecular formula C12H3Br5O2 and molecular weight 573.605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4,7,8-pentabromodibenzo-p-dioxin
Also Known As: 1,2,4,7,8-pentabromooxanthrene, 1,2,4,7,8-pentabromodibenzo-p-dioxin, Dibenzo(b,e)(1,4)dioxin, 1,2,4,7,8-pentabromo-, KST-1B0039, Dibenzo[b,e][1,4]dioxin,1,2,4,7,8-pentabromo-
| Molecular Formula | C12H3Br5O2 |
| Molecular Weight | 573.605 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 | 573.605 Da |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| SMILES | C1=C2C(=CC(=C1Br)Br)OC3=C(O2)C(=CC(=C3Br)Br)Br |
| InChIKey | BUTCDYWYGPQTPC-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that Dibenzo(b,e)(1,4)dioxin, 1,2,4,7,8-pentabromo- 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, 1,2,4,7,8-pentabromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)(1,4)dioxin, 1,2,4,7,8-pentabromo- 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, 1,2,4,7,8-pentabromo- is 119269-73-7.
The molecular formula of Dibenzo(b,e)(1,4)dioxin, 1,2,4,7,8-pentabromo- is C12H3Br5O2.
The molecular weight of Dibenzo(b,e)(1,4)dioxin, 1,2,4,7,8-pentabromo- is 573.605 g/mol.
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