TL;DR: 8-[(Dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one (CAS 102076-10-8) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one
Also Known As: 8-(dimethylaminomethyl)-7-ethoxy-2,3-dimethylchromen-4-one, 8-(dimethylaminomethyl)-7-ethoxy-2,3-dimethyl-chromen-4-one, 8-[(dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one, 8-[(dimethylamino)methyl]-7-ethoxy-2,3-dimethyl-4h-chromen-4-one
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.15213 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.15213 Da |
| Heavy Atoms | 20 |
| Complexity | 403.0 |
| SMILES | CCOC1=C(C2=C(C=C1)C(=O)C(=C(O2)C)C)CN(C)C |
| InChIKey | QISHCBPOCYMVCQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(Dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one. With a topological polar surface area (TPSA) of 38.8 Ų, 8-[(Dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[(Dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one has 0 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 8-[(Dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one is 102076-10-8.
The molecular formula of 8-[(Dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one is C16H21NO3.
The molecular weight of 8-[(Dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one is 275.15213 g/mol.
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