TL;DR: 2-Chloro-pyrido[2,3-b]pyrazine (CAS 155538-64-0) is a chemical compound with molecular formula C17H12N4O5S2 and molecular weight 416.0249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-nitroanilino)methyl]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-Chloro-pyrido[2,3-b]pyrazine, 3-[(4-nitroanilino)methyl]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 5-(4-nitrobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-th, 5-(4-nitrobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-thioxo-1,3-thiazolidin-4-one (en)4-Thiazolidinone, 3-[[(4-nitrophenyl)amino]methyl]-5-[(4-nitrophenyl)methylene]-2-thioxo- (en)
| Molecular Formula | C17H12N4O5S2 |
| Molecular Weight | 416.0249 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.0249 Da |
| Heavy Atoms | 28 |
| Complexity | 674.0 |
| SMILES | C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PGMCLNXWQWEGMR-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2-Chloro-pyrido[2,3-b]pyrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting 2-Chloro-pyrido[2,3-b]pyrazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Chloro-pyrido[2,3-b]pyrazine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Chloro-pyrido[2,3-b]pyrazine is 155538-64-0.
The molecular formula of 2-Chloro-pyrido[2,3-b]pyrazine is C17H12N4O5S2.
The molecular weight of 2-Chloro-pyrido[2,3-b]pyrazine is 416.0249 g/mol.
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