TL;DR: LU 4-071 hydrochloride (CAS 26106-03-6) is a chemical compound with molecular formula C20H26ClNS and molecular weight 347.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[3-(3-methyl-1-phenyl-3H-2-benzothiophen-1-yl)propyl]azanium chloride
Also Known As: LU 4-071 hydrochloride, 1,3-Dihydro-1-phenyl-N,N,3-trimethylbenzo(c)thiophene-1-propylamine hydrochloride, Benzo(c)thiophene-1-propylamine, 1,3-dihydro-1-phenyl-N,N-3-trimethyl-, hydrochloride, DIMETHYL-[3-(3-METHYL-1-PHENYL-3H-2-BENZOTHIOPHEN-1-YL)PROPYL]AZANIUMCHLORIDE, dimethyl-[3-(3-methyl-1-phenyl-3H-2-benzothiophen-1-yl)propyl]azanium chloride
| Molecular Formula | C20H26ClNS |
| Molecular Weight | 347.14746 g/mol |
| XLogP | 0.67 |
| Topological Polar Surface Area (TPSA) | 29.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.14746 Da |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
| SMILES | CC1C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | XBCVYOJGISSVDH-UHFFFAOYSA-N |
The XLogP value of 0.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LU 4-071 hydrochloride. With a topological polar surface area (TPSA) of 29.7 Ų, LU 4-071 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 4-071 hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of LU 4-071 hydrochloride is 26106-03-6.
The molecular formula of LU 4-071 hydrochloride is C20H26ClNS.
The molecular weight of LU 4-071 hydrochloride is 347.14746 g/mol.
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