TL;DR: Dibenzo(b,e)(1,4)dioxin, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro- (CAS 124728-12-7) is a chemical compound with molecular formula C12Br4Cl4O2 and molecular weight 631.5386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4-tetrabromo-6,7,8,9-tetrachlorodibenzo-p-dioxin
Also Known As: C12Br4Cl4O2, 1,2,3,4-tetrabromo-6,7,8,9-tetrachlorodibenzo-p-dioxin, Dibenzo(b,e)(1,4)dioxin, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro-, 1,2,3,4-tetrabromo-6,7,8,9-tetrachlorooxanthrene, 1,2,3,4-Tetrabromo-6,7,8,9-tetrachlorodibenzo(b,e)(1,4)dioxin
| Molecular Formula | C12Br4Cl4O2 |
| Molecular Weight | 631.5386 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 631.5386 Da |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
| SMILES | C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Br)Br)Br)Br |
| InChIKey | VBGNBGIHHNGHHW-UHFFFAOYSA-N |
The XLogP value of 8.3 indicates that Dibenzo(b,e)(1,4)dioxin, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro- 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, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)(1,4)dioxin, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro- 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, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro- is 124728-12-7.
The molecular formula of Dibenzo(b,e)(1,4)dioxin, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro- is C12Br4Cl4O2.
The molecular weight of Dibenzo(b,e)(1,4)dioxin, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro- is 631.5386 g/mol.
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