TL;DR: Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- (CAS 125454-27-5) is a chemical compound with molecular formula C10H16ClN5O2 and molecular weight 273.09924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]pentanoic acid
Also Known As: Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-, 5-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]pentanoic acid, 5-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}pentanoic acid, 5-[(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)amino]pentanoic Acid
| Molecular Formula | C10H16ClN5O2 |
| Molecular Weight | 273.09924 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 273.09924 Da |
| Heavy Atoms | 18 |
| Complexity | 256.0 |
| SMILES | CCNC1=NC(=NC(=N1)Cl)NCCCCC(=O)O |
| InChIKey | ZWJIFQAJXAGEHL-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-. Following Lipinski's Rule of Five, Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- is 125454-27-5.
The molecular formula of Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- is C10H16ClN5O2.
The molecular weight of Pentanoic acid, 5-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- is 273.09924 g/mol.
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