TL;DR: 2-(((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyl)amino)butan-1-ol hydrochloride (CAS 1049714-91-1) is a chemical compound with molecular formula C16H21Cl2NO3 and molecular weight 345.08984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol;hydrochloride
Also Known As: 2-(((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyl)amino)butan-1-ol hydrochloride, 2-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methylamino]butan-1-ol Hydrochloride, 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol hydrochloride
| Molecular Formula | C16H21Cl2NO3 |
| Molecular Weight | 345.08984 g/mol |
| XLogP | 3.8909 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.08984 Da |
| Heavy Atoms | 22 |
| Complexity | 305.0 |
| SMILES | CCC(CO)NCC1=CC=C(O1)C2=CC(=C(C=C2)OC)Cl.Cl |
| InChIKey | AMKJIUWDQRIPMM-UHFFFAOYSA-N |
The XLogP value of 3.8909 indicates that 2-(((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyl)amino)butan-1-ol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, 2-(((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyl)amino)butan-1-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyl)amino)butan-1-ol hydrochloride has 3 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 2-(((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyl)amino)butan-1-ol hydrochloride is 1049714-91-1.
The molecular formula of 2-(((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyl)amino)butan-1-ol hydrochloride is C16H21Cl2NO3.
The molecular weight of 2-(((5-(3-chloro-4-methoxyphenyl)furan-2-yl)methyl)amino)butan-1-ol hydrochloride is 345.08984 g/mol.
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