TL;DR: 5-Bromoindole (CAS 10075-50-0) is a chemical compound with molecular formula C8H6BrN and molecular weight 194.96835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-1H-indole
Also Known As: 5-BROMOINDOLE, 5-Bromo-1H-indole, 1H-Indole, 5-bromo-, 5-bromo indole, 5-bromo-indole
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H6BrN |
| Molecular Weight | 194.96835 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.96835 Da |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| SMILES | C1=CC2=C(C=CN2)C=C1Br |
| InChIKey | VXWVFZFZYXOBTA-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 5-Bromoindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.8 Ų, 5-Bromoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromoindole has 1 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 5-Bromoindole is 10075-50-0.
The molecular formula of 5-Bromoindole is C8H6BrN.
The molecular weight of 5-Bromoindole is 194.96835 g/mol.
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