TL;DR: 2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline (CAS 59388-58-8) is a chemical compound with molecular formula C13H19N and molecular weight 189.15175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
Also Known As: 1,2,3,4-Tetrahydro-2,2,4,7-tetramethylquinoline, 2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinoline, 8-Ethoxycaffeine, TM-THQ cpd, 2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H19N |
| Molecular Weight | 189.15175 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.15175 Da |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| SMILES | CC1CC(NC2=C1C=CC(=C2)C)(C)C |
| InChIKey | NRWNXIXJZMSDAU-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline 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 2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline is 59388-58-8.
The molecular formula of 2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline is C13H19N.
The molecular weight of 2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline is 189.15175 g/mol.
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