TL;DR: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride (CAS 72512-00-6) is a chemical compound with molecular formula C16H18ClNO3 and molecular weight 307.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: 1,2,3,4-Tetrahydro-1-(4-methoxyphenyl)-4,6-isoquinolinediol hydrochloride, 4,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(4-METHOXYPHENYL)-, HYDROCHLORIDE, 1-(4-Methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diolchloride, 4,6-Dihydroxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolinium chloride, 1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
| Molecular Formula | C16H18ClNO3 |
| Molecular Weight | 307.09753 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.09753 Da |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
| SMILES | COC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O.[Cl-] |
| InChIKey | SUPIHZOSKIASLT-UHFFFAOYSA-N |
The XLogP value of -1.9 indicates that 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride. Following Lipinski's Rule of Five, 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride is 72512-00-6.
The molecular formula of 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride is C16H18ClNO3.
The molecular weight of 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride is 307.09753 g/mol.
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