TL;DR: 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline (CAS 113163-24-9) is a chemical compound with molecular formula C13H11NO and molecular weight 197.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-oxa-3-azatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2(7),3,5,8-pentaene
Also Known As: 9,10-Epoxy-7,8,9,10-tetrahydrobenzo(h)quinoline, Benzo(h)quinoline, 7,8,9,10-tetrahydro-9,10-epoxide, 1a,2,3,9c-Tetrahydrooxireno(3,4)benzo(1,2-h)quinoline, 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline, Oxireno(3,4)benzo(1,2-h)quinoline, 1a,2,3,9c-tetrahydro-
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.08406 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 25.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.08406 Da |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
| SMILES | C1CC2=C(C3C1O3)C4=C(C=CC=N4)C=C2 |
| InChIKey | GQQULZUOSXVLJY-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline. With a topological polar surface area (TPSA) of 25.4 Ų, 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline has 0 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 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline is 113163-24-9.
The molecular formula of 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline is C13H11NO.
The molecular weight of 1a,2,3,9c-Tetrahydro[1]benzoxireno[3,2-h]quinoline is 197.08406 g/mol.
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