TL;DR: 4-Aminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride (CAS 1052514-48-3) is a chemical compound with molecular formula C9H14ClNO3 and molecular weight 219.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(aminomethyl)-5-propylfuran-2-carboxylic acid;hydrochloride
Also Known As: 4-(aminomethyl)-5-propylfuran-2-carboxylic acid hydrochloride, 8168AC, 4-Aminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride, 4-Aminomethyl-5-propyl-furan-2-carboxylic acidhydrochloride, 4-Aminomethyl-5-propyl-furan-2-carboxylic acid
| Molecular Formula | C9H14ClNO3 |
| Molecular Weight | 219.06622 g/mol |
| XLogP | 1.8108 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.06622 Da |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
| SMILES | CCCC1=C(C=C(O1)C(=O)O)CN.Cl |
| InChIKey | OKSOVYSCXPRWPJ-UHFFFAOYSA-N |
The XLogP value of 1.8108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride. Following Lipinski's Rule of Five, 4-Aminomethyl-5-propyl-furan-2-carboxylic acid 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 4-Aminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride is 1052514-48-3.
The molecular formula of 4-Aminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride is C9H14ClNO3.
The molecular weight of 4-Aminomethyl-5-propyl-furan-2-carboxylic acid hydrochloride is 219.06622 g/mol.
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