TL;DR: 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole (CAS 130824-82-7) is a chemical compound with molecular formula C14H15BrN2 and molecular weight 290.04187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Also Known As: 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole, AH-262/37343001, 8-bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino<3,2,1-j,k>carbazole, 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-j,k]carbazole, 12-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
| Molecular Formula | C14H15BrN2 |
| Molecular Weight | 290.04187 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.04187 Da |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
| SMILES | C1CC2C3=C(C1)C4=C(N3CCN2)C=CC(=C4)Br |
| InChIKey | IUGGYBLSCOVAQM-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole. With a topological polar surface area (TPSA) of 17.0 Ų, 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole is 130824-82-7.
The molecular formula of 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole is C14H15BrN2.
The molecular weight of 8-Bromo-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole is 290.04187 g/mol.
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