TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl- (CAS 63937-76-8) is a chemical compound with molecular formula C21H26ClNO2 and molecular weight 359.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-chlorophenyl)ethyl]-2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Also Known As: 5-21-05-00280 (Beilstein Handbook Reference), 1-(4-Chlorophenethyl)-6,7-dimethoxy-2-ethyl-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl-1,2,3,4-tetrahydro-, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(4-CHLOROPHENETHYL)-6,7-DIMETHOXY-2-ETHYL-, 1- -6,7-dimethoxy-2-ethyl-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C21H26ClNO2 |
| Molecular Weight | 359.1652 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.1652 Da |
| Heavy Atoms | 25 |
| Complexity | 399.0 |
| SMILES | CCN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)OC)OC |
| InChIKey | SNYIPZNSOUVGTP-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl- is 63937-76-8.
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl- is C21H26ClNO2.
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-ethyl- is 359.1652 g/mol.
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