TL;DR: VUFB 17,766 (CAS 139009-21-5) is a chemical compound with molecular formula C18H25Cl2FN2S and molecular weight 390.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[[2-(3-fluorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine;dihydrochloride
Also Known As: VUFB 17,766, 1,2-Ethanediamine, N-((2-((3-fluorophenyl)thio)phenyl)methyl)-N,N',N'-trimethyl-, dihydrochloride, N-(2-Dimethylaminoethyl)-N-methyl-2-(3-fluorophenylthio)benzylamine dihydrochloride, N'-[[2-(3-fluorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine dihydrochloride, N~1~-({2-[(3-Fluorophenyl)sulfanyl]phenyl}methyl)-N~1~,N~2~,N~2~-trimethylethane-1,2-diamine--hydrogen chloride (1/2)
| Molecular Formula | C18H25Cl2FN2S |
| Molecular Weight | 390.10995 g/mol |
| XLogP | 4.8139 |
| Topological Polar Surface Area (TPSA) | 31.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.10995 Da |
| Heavy Atoms | 24 |
| Complexity | 313.0 |
| SMILES | CN(C)CCN(C)CC1=CC=CC=C1SC2=CC=CC(=C2)F.Cl.Cl |
| InChIKey | MDSXIZJQMZWENH-UHFFFAOYSA-N |
The XLogP value of 4.8139 indicates that VUFB 17,766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, VUFB 17,766 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VUFB 17,766 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of VUFB 17,766 is 139009-21-5.
The molecular formula of VUFB 17,766 is C18H25Cl2FN2S.
The molecular weight of VUFB 17,766 is 390.10995 g/mol.
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