TL;DR: methyl 2-(8-((diethylamino)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate hydrochloride (CAS 1052524-11-4) is a chemical compound with molecular formula C18H24ClNO5 and molecular weight 369.1343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[8-(diethylaminomethyl)-7-hydroxy-4-methyl-2-oxochromen-3-yl]acetate;hydrochloride
Also Known As: methyl 2-(8-((diethylamino)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate hydrochloride, methyl 2-[8-(diethylaminomethyl)-7-hydroxy-4-methyl-2-oxochromen-3-yl]acetate hydrochloride
| Molecular Formula | C18H24ClNO5 |
| Molecular Weight | 369.1343 g/mol |
| XLogP | 2.78612 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.1343 Da |
| Heavy Atoms | 25 |
| Complexity | 512.0 |
| SMILES | CCN(CC)CC1=C(C=CC2=C1OC(=O)C(=C2C)CC(=O)OC)O.Cl |
| InChIKey | QSXWYSPZLNPGFA-UHFFFAOYSA-N |
The XLogP value of 2.78612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(8-((diethylamino)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate hydrochloride. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(8-((diethylamino)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate hydrochloride. Following Lipinski's Rule of Five, methyl 2-(8-((diethylamino)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 2-(8-((diethylamino)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate hydrochloride is 1052524-11-4.
The molecular formula of methyl 2-(8-((diethylamino)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate hydrochloride is C18H24ClNO5.
The molecular weight of methyl 2-(8-((diethylamino)methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate hydrochloride is 369.1343 g/mol.
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