TL;DR: 2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride (CAS 63917-64-6) is a chemical compound with molecular formula C21H26ClNO2 and molecular weight 359.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[3-(2-oxo-3-phenyl-1-benzofuran-3-yl)propyl]azanium chloride
Also Known As: 3-(3-(Diethylamino)propyl)-3-phenyl-2(3H)-benzofuranone hydrochloride, 2(3H)-BENZOFURANONE, 3-(3-(DIETHYLAMINO)PROPYL)-3-PHENYL-, HYDROCHLORIDE, 2(3H)-Benzofuranone, 3-[3-(diethylamino)propyl]-3-phenyl-, hydrochloride, diethyl-[3-(2-oxo-3-phenyl-1-benzofuran-3-yl)propyl]azanium chloride
| Molecular Formula | C21H26ClNO2 |
| Molecular Weight | 359.1652 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.1652 Da |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
| SMILES | CC[NH+](CC)CCCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | RRHGCGSSXPZSMF-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride is 63917-64-6.
The molecular formula of 2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride is C21H26ClNO2.
The molecular weight of 2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride is 359.1652 g/mol.
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