TL;DR: Dibenzofuran, 2,3,4,6,7-pentabromo- (CAS 124388-77-8) is a chemical compound with molecular formula C12H3Br5O and molecular weight 557.6101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,6,7-pentabromodibenzofuran
Also Known As: 2,3,4,6,7-Pentabromodibenzofuran, Dibenzofuran, 2,3,4,6,7-pentabromo-, Carbobenzoxy-D,L-tryptophanamide, 2,3,4,6,7-PBDF, 2,3,4,6,7-Pentabromodibenzo[b,d]furan
| Molecular Formula | C12H3Br5O |
| Molecular Weight | 557.6101 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 557.6101 Da |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
| SMILES | C1=CC(=C(C2=C1C3=CC(=C(C(=C3O2)Br)Br)Br)Br)Br |
| InChIKey | DOMLPUMLHHUETA-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that Dibenzofuran, 2,3,4,6,7-pentabromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, Dibenzofuran, 2,3,4,6,7-pentabromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzofuran, 2,3,4,6,7-pentabromo- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenzofuran, 2,3,4,6,7-pentabromo- is 124388-77-8.
The molecular formula of Dibenzofuran, 2,3,4,6,7-pentabromo- is C12H3Br5O.
The molecular weight of Dibenzofuran, 2,3,4,6,7-pentabromo- is 557.6101 g/mol.
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