TL;DR: 2-Chloro-3-{4-[(2,6-dimethylmorpholino)carbonyl]piperidino}naphthoquinone (CAS 439108-68-6) is a chemical compound with molecular formula C22H25ClN2O4 and molecular weight 416.1503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]naphthalene-1,4-dione
Also Known As: 2-chloro-3-{4-[(2,6-dimethylmorpholino)carbonyl]piperidino}naphthoquinone, 4T-0307, 2-chloro-3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]naphthalene-1,4-dione, 2-chloro-3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C22H25ClN2O4 |
| Molecular Weight | 416.1503 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.1503 Da |
| Heavy Atoms | 29 |
| Complexity | 718.0 |
| SMILES | CC1CN(CC(O1)C)C(=O)C2CCN(CC2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl |
| InChIKey | GGYQACIOCFKYAF-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-Chloro-3-{4-[(2,6-dimethylmorpholino)carbonyl]piperidino}naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-{4-[(2,6-dimethylmorpholino)carbonyl]piperidino}naphthoquinone. Following Lipinski's Rule of Five, 2-Chloro-3-{4-[(2,6-dimethylmorpholino)carbonyl]piperidino}naphthoquinone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Chloro-3-{4-[(2,6-dimethylmorpholino)carbonyl]piperidino}naphthoquinone is 439108-68-6.
The molecular formula of 2-Chloro-3-{4-[(2,6-dimethylmorpholino)carbonyl]piperidino}naphthoquinone is C22H25ClN2O4.
The molecular weight of 2-Chloro-3-{4-[(2,6-dimethylmorpholino)carbonyl]piperidino}naphthoquinone is 416.1503 g/mol.
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