TL;DR: CID 79653 (CAS 56830-68-3) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylamino)-1-(4-methoxyphenyl)propan-1-one
Also Known As: 3-(diethylamino)-1-(4-methoxyphenyl)propan-1-one
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.15723 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 235.15723 Da |
| Heavy Atoms | 17 |
| Complexity | 218.0 |
| SMILES | CCN(CC)CCC(=O)C1=CC=C(C=C1)OC |
| InChIKey | DSUDQWRYBRHEPO-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 79653. With a topological polar surface area (TPSA) of 29.5 Ų, CID 79653 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 79653 has 0 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 CID 79653 is 56830-68-3.
The molecular formula of CID 79653 is C14H21NO2.
The molecular weight of CID 79653 is 235.15723 g/mol.
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