TL;DR: 2-Chloro-3-(chloroamino)naphthalene-1,4-dione (CAS 156143-51-0) is a chemical compound with molecular formula C10H5Cl2NO2 and molecular weight 240.96973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-(chloroamino)naphthalene-1,4-dione
Also Known As: 1,4-Naphthoquinone der., 2-chloro-3-(chloroamino)naphthalene-1,4-dione, 1,4-Naphthalenedione, 2-chloro-3-(chloroamino)-, 1,4-Naphthalenedione,2-chloro-3-(chloroamino), 1,4-Naphthalenedione,2-chloro-3-(chloroamino)-
| Molecular Formula | C10H5Cl2NO2 |
| Molecular Weight | 240.96973 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.96973 Da |
| Heavy Atoms | 15 |
| Complexity | 351.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCl |
| InChIKey | NMKFCUZEFPRPJX-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(chloroamino)naphthalene-1,4-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 2-Chloro-3-(chloroamino)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(chloroamino)naphthalene-1,4-dione 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 2-Chloro-3-(chloroamino)naphthalene-1,4-dione is 156143-51-0.
The molecular formula of 2-Chloro-3-(chloroamino)naphthalene-1,4-dione is C10H5Cl2NO2.
The molecular weight of 2-Chloro-3-(chloroamino)naphthalene-1,4-dione is 240.96973 g/mol.
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