TL;DR: (1,1'-Biphenyl)-4,4'-diamine, 3-bromo- (CAS 108238-11-5) is a chemical compound with molecular formula C12H11BrN2 and molecular weight 262.01056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-aminophenyl)-2-bromoaniline
Also Known As: 3-Bromobenzidine, 3-Brom-benzidin, 4-(4-aminophenyl)-2-bromoaniline, (1,1'-BIPHENYL)-4,4'-DIAMINE, 3-BROMO-, 3-Bromo-(1,1'-biphenyl)-4,4'-diamine
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H11BrN2 |
| Molecular Weight | 262.01056 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.01056 Da |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
| SMILES | C1=CC(=CC=C1C2=CC(=C(C=C2)N)Br)N |
| InChIKey | HRDVSBWJVVGOAT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1'-Biphenyl)-4,4'-diamine, 3-bromo-. With a topological polar surface area (TPSA) of 52.0 Ų, (1,1'-Biphenyl)-4,4'-diamine, 3-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4,4'-diamine, 3-bromo- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1,1'-Biphenyl)-4,4'-diamine, 3-bromo- is 108238-11-5.
The molecular formula of (1,1'-Biphenyl)-4,4'-diamine, 3-bromo- is C12H11BrN2.
The molecular weight of (1,1'-Biphenyl)-4,4'-diamine, 3-bromo- is 262.01056 g/mol.
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