TL;DR: Isoquinoline, N-methyl-5,6-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride (CAS 63937-93-9) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: N-Methyl-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, ISOQUINOLINE, N-METHYL-5,6-DIMETHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE, 5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-, hydrochloride
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.1026 g/mol |
| XLogP | -2.72 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.1026 Da |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
| SMILES | C[NH+]1CCC2=C(C1)C=CC(=C2OC)OC.[Cl-] |
| InChIKey | HOCSMTMSAJZQGE-UHFFFAOYSA-N |
The XLogP value of -2.72 indicates that Isoquinoline, N-methyl-5,6-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, Isoquinoline, N-methyl-5,6-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, N-methyl-5,6-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride 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 Isoquinoline, N-methyl-5,6-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride is 63937-93-9.
The molecular formula of Isoquinoline, N-methyl-5,6-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride is C12H18ClNO2.
The molecular weight of Isoquinoline, N-methyl-5,6-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride is 243.1026 g/mol.
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