TL;DR: Chromone, 2,3-dimethyl-8-(dimethylaminomethyl)-7-ethoxy-, hydrochloride (CAS 38035-27-7) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-ethoxy-2,3-dimethyl-4-oxochromen-8-yl)methyl-dimethylazanium chloride
Also Known As: 2,3-Dimethyl-8-(dimethylaminomethyl)-7-ethoxychromone hydrochloride, 4H-1-Benzopyran-4-one, 8-((dimethylamino)methyl)-7-ethoxy-2,3-dimethyl-, hydrochloride, CHROMONE, 2,3-DIMETHYL-8-(DIMETHYLAMINOMETHYL)-7-ETHOXY-, HYDROCHLORIDE, (7-ethoxy-2,3-dimethyl-4-oxochromen-8-yl)methyl-dimethylazanium chloride, 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-ethoxy-2,3-dimethyl-, hydrochloride
| Molecular Formula | C16H22ClNO3 |
| Molecular Weight | 311.1288 g/mol |
| XLogP | -1.54 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1288 Da |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
| SMILES | CCOC1=C(C2=C(C=C1)C(=O)C(=C(O2)C)C)C[NH+](C)C.[Cl-] |
| InChIKey | ZKTQLMOLIVTVDG-UHFFFAOYSA-N |
The XLogP value of -1.54 indicates that Chromone, 2,3-dimethyl-8-(dimethylaminomethyl)-7-ethoxy-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Chromone, 2,3-dimethyl-8-(dimethylaminomethyl)-7-ethoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chromone, 2,3-dimethyl-8-(dimethylaminomethyl)-7-ethoxy-, hydrochloride has 1 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 Chromone, 2,3-dimethyl-8-(dimethylaminomethyl)-7-ethoxy-, hydrochloride is 38035-27-7.
The molecular formula of Chromone, 2,3-dimethyl-8-(dimethylaminomethyl)-7-ethoxy-, hydrochloride is C16H22ClNO3.
The molecular weight of Chromone, 2,3-dimethyl-8-(dimethylaminomethyl)-7-ethoxy-, hydrochloride is 311.1288 g/mol.
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