TL;DR: Compound FP 1 (CAS 105284-38-6) is a chemical compound with molecular formula C27H36FN5O6 and molecular weight 545.26495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
Also Known As: Compound FP 1, Acetamide, N-(4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)-2-((3-(2-methyl-1-piperidinyl)propyl)amino)-, (Z)-2-butenedioate (1:1), N-(4-(2-Fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)-2-((3-(2-methyl-1-piperidinyl)propyl)amino)acetamide-2-butenedioate(1:2)
| Molecular Formula | C27H36FN5O6 |
| Molecular Weight | 545.26495 g/mol |
| XLogP | 2.60302 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 545.26495 Da |
| Heavy Atoms | 39 |
| Complexity | 725.0 |
| SMILES | CC1CCCCN1CCCNCC(=O)NC2=C(C(=NN2C)C)C(=O)C3=CC=CC=C3F.C(=CC(=O)O)C(=O)O |
| InChIKey | YEWBLRAJJWIBJY-UHFFFAOYSA-N |
The XLogP value of 2.60302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Compound FP 1. The TPSA of 154.0 Ų indicates high polarity, suggesting Compound FP 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compound FP 1 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Compound FP 1 is 105284-38-6.
The molecular formula of Compound FP 1 is C27H36FN5O6.
The molecular weight of Compound FP 1 is 545.26495 g/mol.
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