TL;DR: 3-(Dimethylamino)propyl thiophene-2-carboxylate hydrochloride (CAS 1052516-61-6) is a chemical compound with molecular formula C10H16ClNO2S and molecular weight 249.05902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)propyl thiophene-2-carboxylate;hydrochloride
Also Known As: 3-(dimethylamino)propyl thiophene-2-carboxylate hydrochloride, 3-dimethylaminopropyl Thiophene-2-carboxylate Hydrochloride
| Molecular Formula | C10H16ClNO2S |
| Molecular Weight | 249.05902 g/mol |
| XLogP | 2.2784 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.05902 Da |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
| SMILES | CN(C)CCCOC(=O)C1=CC=CS1.Cl |
| InChIKey | ICBWLQIOTVWLNJ-UHFFFAOYSA-N |
The XLogP value of 2.2784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)propyl thiophene-2-carboxylate hydrochloride. With a topological polar surface area (TPSA) of 57.8 Ų, 3-(Dimethylamino)propyl thiophene-2-carboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl thiophene-2-carboxylate 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 3-(Dimethylamino)propyl thiophene-2-carboxylate hydrochloride is 1052516-61-6.
The molecular formula of 3-(Dimethylamino)propyl thiophene-2-carboxylate hydrochloride is C10H16ClNO2S.
The molecular weight of 3-(Dimethylamino)propyl thiophene-2-carboxylate hydrochloride is 249.05902 g/mol.
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