TL;DR: Methyl 5-[1-(dimethylamino)ethyl]-2-furoate (CAS 100132-44-3) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[1-(dimethylamino)ethyl]furan-2-carboxylate
Also Known As: BAS 03107453, methyl 5-[1-(dimethylamino)ethyl]-2-furoate, AL-281/15328332, methyl 5-[(dimethylamino)ethyl]furan-2-carboxylate, methyl 5-(1-(dimethylamino)ethyl)furan-2-carboxylate
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.1052 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.1052 Da |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
| SMILES | CC(C1=CC=C(O1)C(=O)OC)N(C)C |
| InChIKey | CEAFIEILCGUVOY-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-[1-(dimethylamino)ethyl]-2-furoate. With a topological polar surface area (TPSA) of 42.7 Ų, Methyl 5-[1-(dimethylamino)ethyl]-2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-[1-(dimethylamino)ethyl]-2-furoate has 0 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 Methyl 5-[1-(dimethylamino)ethyl]-2-furoate is 100132-44-3.
The molecular formula of Methyl 5-[1-(dimethylamino)ethyl]-2-furoate is C10H15NO3.
The molecular weight of Methyl 5-[1-(dimethylamino)ethyl]-2-furoate is 197.1052 g/mol.
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