TL;DR: 2-carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole (CAS 138226-14-9) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethoxycarbonyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylic acid
Also Known As: CEOPB, NCI60_008518, 2-Carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole, 4-ethoxycarbonyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylic acid, 2-Carboxy-4-ethoxycarbonyl-1-oxo-1H,2-a]benaimidazole
| Molecular Formula | C15H12N2O5 |
| Molecular Weight | 300.07462 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07462 Da |
| Heavy Atoms | 22 |
| Complexity | 607.0 |
| SMILES | CCOC(=O)C1=C2NC3=CC=CC=C3N2C(=O)C(=C1)C(=O)O |
| InChIKey | NRTCMFMOUDUEPB-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole. Following Lipinski's Rule of Five, 2-carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole is 138226-14-9.
The molecular formula of 2-carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole is C15H12N2O5.
The molecular weight of 2-carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole is 300.07462 g/mol.
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