TL;DR: 4-(4-Methoxyphenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione (CAS 128839-33-8) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
Also Known As: J1.032.957D, AB01333530-02, 4-(4-METHOXYPHENYL)-7,7-DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDROQUINOLINE-2,5-DIONE, 4-(4-Methoxyphenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione, 4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.15213 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.15213 Da |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
| SMILES | CC1(CC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OC)C(=O)C1)C |
| InChIKey | SLAKKDBPHYOCQW-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(4-Methoxyphenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione has 1 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 4-(4-Methoxyphenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione is 128839-33-8.
The molecular formula of 4-(4-Methoxyphenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione is C18H21NO3.
The molecular weight of 4-(4-Methoxyphenyl)-7,7-dimethyl-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione is 299.15213 g/mol.
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