TL;DR: Soluflazine (CAS 126077-91-6) is a chemical compound with molecular formula C28H32Cl4FN5O2 and molecular weight 629.1294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(2,6-dichloroanilino)-2-oxoethyl]-1-[4-(4-fluorophenyl)-4-pyridin-3-ylbutyl]piperazine-2-carboxamide;dihydrochloride
Also Known As: Soluflazine, R-64719, R 64719, methyl 3-(5-methyl-1H-pyrazol-3-yl)propanoate, 1-Piperazineacetamide,3-(aminocarbonyl)-N-(2,6-dichlorophenyl)-4-[4-(4-fluorophenyl)-4-(3-pyridinyl)butyl]-,hydrochloride (1:2)
| Molecular Formula | C28H32Cl4FN5O2 |
| Molecular Weight | 629.1294 g/mol |
| XLogP | 5.3934 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 629.1294 Da |
| Heavy Atoms | 40 |
| Complexity | 762.0 |
| SMILES | C1CN(C(CN1CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)N)CCCC(C3=CC=C(C=C3)F)C4=CN=CC=C4.Cl.Cl |
| InChIKey | KQZLAOQGNIIITJ-UHFFFAOYSA-N |
The XLogP value of 5.3934 indicates that Soluflazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Soluflazine. Following Lipinski's Rule of Five, Soluflazine has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Soluflazine is 126077-91-6.
The molecular formula of Soluflazine is C28H32Cl4FN5O2.
The molecular weight of Soluflazine is 629.1294 g/mol.
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