TL;DR: 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-3-oxopropyl}hexahydro-1H-isoindole-1,3(2H)-dione (CAS 1005106-30-8) is a chemical compound with molecular formula C29H33ClN2O3 and molecular weight 492.21796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-3-oxopropyl}hexahydro-1H-isoindole-1,3(2H)-dione, 2-(3-(4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl)hexahydro-1H-isoindole-1,3(2H)-dione, 2-[3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl(1,2,3,4-tetrahydroquinolyl)]-3-oxopro pyl}-4,5,6,7,3a,7a-hexahydroisoindole-1,3-dione, 2-{3-[4-(4-CHLOROPHENYL)-2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDROQUINOLIN-1-YL]-3-OXOPROPYL}-OCTAHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C29H33ClN2O3 |
| Molecular Weight | 492.21796 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.21796 Da |
| Heavy Atoms | 35 |
| Complexity | 827.0 |
| SMILES | CC1(CC(C2=CC=CC=C2N1C(=O)CCN3C(=O)C4CCCCC4C3=O)(C)C5=CC=C(C=C5)Cl)C |
| InChIKey | VFKPURSRIUGYQI-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-3-oxopropyl}hexahydro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-3-oxopropyl}hexahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-3-oxopropyl}hexahydro-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-3-oxopropyl}hexahydro-1H-isoindole-1,3(2H)-dione is 1005106-30-8.
The molecular formula of 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-3-oxopropyl}hexahydro-1H-isoindole-1,3(2H)-dione is C29H33ClN2O3.
The molecular weight of 2-{3-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-3-oxopropyl}hexahydro-1H-isoindole-1,3(2H)-dione is 492.21796 g/mol.
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