TL;DR: FC 644/A (CAS 102585-51-3) is a chemical compound with molecular formula C28H33BrN2O2 and molecular weight 508.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate bromide
Also Known As: FC 644/A, Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromide, 4-{2-[(diphenylacetyl)oxy]-1-phenylethyl}-1,1-dimethylpiperazin-1-ium bromide, [2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate;bromide, Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromide
| Molecular Formula | C28H33BrN2O2 |
| Molecular Weight | 508.17255 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.17255 Da |
| Heavy Atoms | 33 |
| Complexity | 546.0 |
| SMILES | C[N+]1(CCN(CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-] |
| InChIKey | IIMUZQLNNNKPTR-UHFFFAOYSA-M |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FC 644/A. With a topological polar surface area (TPSA) of 29.5 Ų, FC 644/A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, FC 644/A has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of FC 644/A is 102585-51-3.
The molecular formula of FC 644/A is C28H33BrN2O2.
The molecular weight of FC 644/A is 508.17255 g/mol.
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