TL;DR: 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) (CAS 63905-71-5) 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-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, ISOQUINOLINE, 5-ETHOXY-6-METHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE, Isoquinoline, 5-ethoxy-1,2,3,4-tetrahydro-6-methoxy-, hydrochloride, 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.1026 g/mol |
| XLogP | -2.28 |
| Topological Polar Surface Area (TPSA) | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.1026 Da |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
| SMILES | CCOC1=C(C=CC2=C1CC[NH2+]C2)OC.[Cl-] |
| InChIKey | YIXDGTNNJMJRDX-UHFFFAOYSA-N |
The XLogP value of -2.28 indicates that 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.1 Ų, 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) 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 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) is 63905-71-5.
The molecular formula of 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) is C12H18ClNO2.
The molecular weight of 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) is 243.1026 g/mol.
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