TL;DR: Chromone, 6-(diethylaminomethyl)-2,3-dimethyl-, monohydrochloride (CAS 100857-72-5) is a chemical compound with molecular formula C16H22ClNO2 and molecular weight 295.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(diethylaminomethyl)-2,3-dimethylchromen-4-one;hydrochloride
Also Known As: REC 7-0113, 6-(Diethylaminomethyl)-2,3-dimethyl-chromone hydrochloride, 2,3-Dimetil-6-dietilamminometil-cromone-cloridrato, Chromone, 6-(diethylaminomethyl)-2,3-dimethyl-, monohydrochloride, 2,3-Dimetil-6-dietilamminometil-cromone-cloridrato [Italian]
| Molecular Formula | C16H22ClNO2 |
| Molecular Weight | 295.1339 g/mol |
| XLogP | 3.67344 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1339 Da |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
| SMILES | CCN(CC)CC1=CC2=C(C=C1)OC(=C(C2=O)C)C.Cl |
| InChIKey | NVCBWPCVKMIVFJ-UHFFFAOYSA-N |
The XLogP value of 3.67344 indicates that Chromone, 6-(diethylaminomethyl)-2,3-dimethyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Chromone, 6-(diethylaminomethyl)-2,3-dimethyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chromone, 6-(diethylaminomethyl)-2,3-dimethyl-, monohydrochloride 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 Chromone, 6-(diethylaminomethyl)-2,3-dimethyl-, monohydrochloride is 100857-72-5.
The molecular formula of Chromone, 6-(diethylaminomethyl)-2,3-dimethyl-, monohydrochloride is C16H22ClNO2.
The molecular weight of Chromone, 6-(diethylaminomethyl)-2,3-dimethyl-, monohydrochloride is 295.1339 g/mol.
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