TL;DR: 2-Chloro-3-((2-hydroxyphenyl)amino)naphthalene-1,4-dione (CAS 1092-07-5) is a chemical compound with molecular formula C16H10ClNO3 and molecular weight 299.0349 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-(2-hydroxyanilino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-((2-hydroxyphenyl)amino)naphthalene-1,4-dione, 2-chloro-3-(2-hydroxyanilino)naphthalene-1,4-dione, 2-chloro-3-[(2-hydroxyphenyl)amino]naphthalene-1,4-dione
| Molecular Formula | C16H10ClNO3 |
| Molecular Weight | 299.0349 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.0349 Da |
| Heavy Atoms | 21 |
| Complexity | 488.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3O |
| InChIKey | VCFUZBMYVIQWFK-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-Chloro-3-((2-hydroxyphenyl)amino)naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-((2-hydroxyphenyl)amino)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Chloro-3-((2-hydroxyphenyl)amino)naphthalene-1,4-dione has 2 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 2-Chloro-3-((2-hydroxyphenyl)amino)naphthalene-1,4-dione is 1092-07-5.
The molecular formula of 2-Chloro-3-((2-hydroxyphenyl)amino)naphthalene-1,4-dione is C16H10ClNO3.
The molecular weight of 2-Chloro-3-((2-hydroxyphenyl)amino)naphthalene-1,4-dione is 299.0349 g/mol.
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