TL;DR: 2,3,3',4,4',5-Hexabromobiphenyl (CAS 77607-09-1) is a chemical compound with molecular formula C12H4Br6 and molecular weight 621.5413 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4-tetrabromo-5-(3,4-dibromophenyl)benzene
Also Known As: Hexbbp, 2,3,3',4,4',5-Hexabromobiphenyl, PBB No. 156, 2,3,4,5,3',4'-Hexabromobiphenyl, PBB 156
| Molecular Formula | C12H4Br6 |
| Molecular Weight | 621.5413 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 627.53516 Da |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C(=C2Br)Br)Br)Br)Br)Br |
| InChIKey | LSUMPCYLOQMSTJ-UHFFFAOYSA-N |
The XLogP value of 7.7 indicates that 2,3,3',4,4',5-Hexabromobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3,3',4,4',5-Hexabromobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3',4,4',5-Hexabromobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,3,3',4,4',5-Hexabromobiphenyl is 77607-09-1.
The molecular formula of 2,3,3',4,4',5-Hexabromobiphenyl is C12H4Br6.
The molecular weight of 2,3,3',4,4',5-Hexabromobiphenyl is 621.5413 g/mol.
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