TL;DR: 1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone (CAS 1005110-51-9) is a chemical compound with molecular formula C19H21NO2S and molecular weight 327.1293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone
Also Known As: 1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone, 1-(7,9-dimethyl-4-(thiophen-2-yl)-2,3,3a,4-tetrahydrofuro[3,2-c]quinolin-5(9bH)-yl)ethanone, 1-[7,9-dimethyl-4-(thiophen-2-yl)-2,3,3a,9b-tetrahydrofuro[3,2-c]quinolin-5(4H)-yl]ethanone
| Molecular Formula | C19H21NO2S |
| Molecular Weight | 327.1293 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.1293 Da |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
| SMILES | CC1=CC(=C2C3C(CCO3)C(N(C2=C1)C(=O)C)C4=CC=CS4)C |
| InChIKey | NOCGPOGIVZUDDQ-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, 1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone is 1005110-51-9.
The molecular formula of 1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone is C19H21NO2S.
The molecular weight of 1-(7,9-dimethyl-4-thiophen-2-yl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinolin-5-yl)ethanone is 327.1293 g/mol.
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