TL;DR: 2,4,5-Tribromobiphenyl (CAS 13254-09-6) is a chemical compound with molecular formula C12H7Br3 and molecular weight 387.80978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-tribromo-5-phenylbenzene
Also Known As: 2,4,5-Tribromobiphenyl, 1,2,4-tribromo-5-phenylbenzene, 1,1'-Biphenyl, 2,4,5-tribromo-, PBB 29, PBB No. 29
| Molecular Formula | C12H7Br3 |
| Molecular Weight | 387.80978 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.80978 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C=C2Br)Br)Br |
| InChIKey | BNBROTCWKGRRKT-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 2,4,5-Tribromobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4,5-Tribromobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Tribromobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4,5-Tribromobiphenyl is 13254-09-6.
The molecular formula of 2,4,5-Tribromobiphenyl is C12H7Br3.
The molecular weight of 2,4,5-Tribromobiphenyl is 387.80978 g/mol.
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