TL;DR: Pentanoic acid, 5-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)- (CAS 150594-72-2) is a chemical compound with molecular formula C18H21N5O4 and molecular weight 371.15936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]pentanoic acid
Also Known As: Pentanoic acid, 5-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)-, 6-(4-Amidinophenyl)-4-((4-carboxybutyl)aminocarbonyl)-2-methyl-(2H)-pyridazin-3-one, 5-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]pentanoic acid, 5-[6-(4-Carbamimidoylphenyl)-2-methyl-3-oxo-2,3-dihydropyridazine-4-carboxamido]pentanoic acid
| Molecular Formula | C18H21N5O4 |
| Molecular Weight | 371.15936 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.15936 Da |
| Heavy Atoms | 27 |
| Complexity | 677.0 |
| SMILES | CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCCCCC(=O)O |
| InChIKey | RYTCNUQCKLTHGJ-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 5-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)-. The TPSA of 149.0 Ų indicates high polarity, suggesting Pentanoic acid, 5-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentanoic acid, 5-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)- has 4 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 Pentanoic acid, 5-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)- is 150594-72-2.
The molecular formula of Pentanoic acid, 5-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)- is C18H21N5O4.
The molecular weight of Pentanoic acid, 5-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)- is 371.15936 g/mol.
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