TL;DR: Higenamine hydrochloride (CAS 12053-66-6) 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-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
Also Known As: Higenamine hydrochloride, Higenamine HCl, Demethyl, Norcoclaurine hydrochloride, Demethylcoclaurine HCl
| Molecular Formula | C16H18ClNO3 |
| Molecular Weight | 307.09753 g/mol |
| XLogP | 2.6547 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.09753 Da |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
| SMILES | C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.Cl |
| InChIKey | SWWQQSDRUYSMAR-UHFFFAOYSA-N |
The XLogP value of 2.6547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Higenamine hydrochloride. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Higenamine hydrochloride. Following Lipinski's Rule of Five, Higenamine hydrochloride has 5 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 Higenamine hydrochloride is 12053-66-6.
The molecular formula of Higenamine hydrochloride is C16H18ClNO3.
The molecular weight of Higenamine hydrochloride is 307.09753 g/mol.
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