TL;DR: 4-Diethylaminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride (CAS 1052417-10-3) is a chemical compound with molecular formula C13H22ClNO3 and molecular weight 275.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(diethylaminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
Also Known As: 4-DIETHYLAMINOMETHYL-5-PROPYL-FURAN-2-CARBOXYLIC ACID HYDROCHLORIDE, 4-(diethylaminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride, 4-[(diethylamino)methyl]-5-propylfuran-2-carboxylic acid hydrochloride, 4-(diethylaminomethyl)-5-propylfuran-2-carboxylic acid hydrochloride, 4-((diethylamino)methyl)-5-propylfuran-2-carboxylic acid hydrochloride
| Molecular Formula | C13H22ClNO3 |
| Molecular Weight | 275.1288 g/mol |
| XLogP | 3.1939 |
| Topological Polar Surface Area (TPSA) | 53.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.1288 Da |
| Heavy Atoms | 18 |
| Complexity | 241.0 |
| SMILES | CCCC1=C(C=C(O1)C(=O)O)CN(CC)CC.Cl |
| InChIKey | WBPZOCLXNSXNNF-UHFFFAOYSA-N |
The XLogP value of 3.1939 indicates that 4-Diethylaminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 4-Diethylaminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Diethylaminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride 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 4-Diethylaminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride is 1052417-10-3.
The molecular formula of 4-Diethylaminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride is C13H22ClNO3.
The molecular weight of 4-Diethylaminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride is 275.1288 g/mol.
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