TL;DR: (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide (CAS 142044-38-0) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1aR,7bS)-4-oxido-1a,7b-dihydrooxireno[2,3-f]quinolin-4-ium
Also Known As: Quinoline-5,6-oxide-N-oxide, (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide, (1aR,7bS)-4-oxido-1a,7b-dihydrooxireno[2,3-f]quinolin-4-ium, (+/-)-CIS-5,6-EPOXY-5,6-DIHYDROQUINOLINE N-OXIDE, CCRIS 4439
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.04768 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 38.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 Da |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
| SMILES | C1=CC2=C(C=C[C@@H]3[C@H]2O3)[N+](=C1)[O-] |
| InChIKey | BMGFWYLOLFXQFE-BDAKNGLRSA-N |
The XLogP value of -0.3 indicates that (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.0 Ų, (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide 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 (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide is 142044-38-0.
The molecular formula of (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide is C9H7NO2.
The molecular weight of (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide is 161.04768 g/mol.
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