TL;DR: (E)-3-(dimethylamino)propyl 3-(furan-2-yl)acrylate hydrochloride (CAS 1049731-59-0) is a chemical compound with molecular formula C12H18ClNO3 and molecular weight 259.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)propyl (E)-3-(furan-2-yl)prop-2-enoate;hydrochloride
Also Known As: (E)-3-(dimethylamino)propyl 3-(furan-2-yl)acrylate hydrochloride, 3-dimethylaminopropyl (E)-3-(2-furyl)prop-2-enoate Hydrochloride, 3-(dimethylamino)propyl (E)-3-(furan-2-yl)prop-2-enoate hydrochloride
| Molecular Formula | C12H18ClNO3 |
| Molecular Weight | 259.09753 g/mol |
| XLogP | 2.2095 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.09753 Da |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
| SMILES | CN(C)CCCOC(=O)/C=C/C1=CC=CO1.Cl |
| InChIKey | NHPBMOYNXVBQLY-UHDJGPCESA-N |
The XLogP value of 2.2095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(dimethylamino)propyl 3-(furan-2-yl)acrylate hydrochloride. With a topological polar surface area (TPSA) of 42.7 Ų, (E)-3-(dimethylamino)propyl 3-(furan-2-yl)acrylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(dimethylamino)propyl 3-(furan-2-yl)acrylate hydrochloride has 1 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 (E)-3-(dimethylamino)propyl 3-(furan-2-yl)acrylate hydrochloride is 1049731-59-0.
The molecular formula of (E)-3-(dimethylamino)propyl 3-(furan-2-yl)acrylate hydrochloride is C12H18ClNO3.
The molecular weight of (E)-3-(dimethylamino)propyl 3-(furan-2-yl)acrylate hydrochloride is 259.09753 g/mol.
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