TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)- (CAS 63937-56-4) is a chemical compound with molecular formula C20H24N2O4 and molecular weight 356.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-2-methyl-1-[2-(2-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
Also Known As: NIOSH/NX5031000, 5-21-05-00281 (Beilstein Handbook Reference), 1-(2-Nitrophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(2-NITROPHENETHYL)-, Isoquinoline, 6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)-1,2,3,4-tetrahydro-
| Molecular Formula | C20H24N2O4 |
| Molecular Weight | 356.1736 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1736 Da |
| Heavy Atoms | 26 |
| Complexity | 469.0 |
| SMILES | CN1CCC2=CC(=C(C=C2C1CCC3=CC=CC=C3[N+](=O)[O-])OC)OC |
| InChIKey | GEYZYDGDYWJOGO-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)-. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)- is 63937-56-4.
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)- is C20H24N2O4.
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(2-nitrophenethyl)- is 356.1736 g/mol.
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