TL;DR: 1-(4-bromophenyl)-2-phenyl-1H-pyrrole (CAS 161063-23-6) is a chemical compound with molecular formula C16H12BrN and molecular weight 297.01532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)-2-phenylpyrrole
Also Known As: 1-(4-bromophenyl)-2-phenyl-1H-pyrrole, starbld0014762, 1-(4-bromophenyl)-2-phenylpyrrole, 1-(4-bromophenyl)-2-phenyl-pyrrole, J3.723.167C
| Molecular Formula | C16H12BrN |
| Molecular Weight | 297.01532 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.01532 Da |
| Heavy Atoms | 18 |
| Complexity | 254.0 |
| SMILES | C1=CC=C(C=C1)C2=CC=CN2C3=CC=C(C=C3)Br |
| InChIKey | SHWOGJAMFCYQDA-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 1-(4-bromophenyl)-2-phenyl-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.9 Ų, 1-(4-bromophenyl)-2-phenyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-2-phenyl-1H-pyrrole has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-bromophenyl)-2-phenyl-1H-pyrrole is 161063-23-6.
The molecular formula of 1-(4-bromophenyl)-2-phenyl-1H-pyrrole is C16H12BrN.
The molecular weight of 1-(4-bromophenyl)-2-phenyl-1H-pyrrole is 297.01532 g/mol.
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