TL;DR: 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-methoxybenzoyl)-, hydrochloride (CAS 29538-94-1) is a chemical compound with molecular formula C19H20ClNO4 and molecular weight 361.1081 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-hydroxy-3-(4-methoxybenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Also Known As: 5-Benzofuranol, 3-(p-anisoyl)-4-dimethylaminomethyl-, hydrochloride, 4-Dimethylaminomethyl-5-hydroxy-3-(p-methoxybenzoyl)benzofuran hydrochloride, 5-BENZOFURANOL, 4-DIMETHYLAMINOMETHYL-3-(p-METHOXYBENZOYL)-, HYDROCHLORIDE, [5-hydroxy-3-(4-methoxybenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium chloride, Ketone, 4-[(dimethylamino)methyl]-5-hydroxy-3-benzofuranyl p-methoxyphenyl, hydrochloride
| Molecular Formula | C19H20ClNO4 |
| Molecular Weight | 361.1081 g/mol |
| XLogP | -0.97 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.1081 Da |
| Heavy Atoms | 25 |
| Complexity | 433.0 |
| SMILES | C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=C(C=C3)OC)O.[Cl-] |
| InChIKey | NQKTVDTWNODRQN-UHFFFAOYSA-N |
The XLogP value of -0.97 indicates that 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-methoxybenzoyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-methoxybenzoyl)-, hydrochloride. Following Lipinski's Rule of Five, 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-methoxybenzoyl)-, hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-methoxybenzoyl)-, hydrochloride is 29538-94-1.
The molecular formula of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-methoxybenzoyl)-, hydrochloride is C19H20ClNO4.
The molecular weight of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-methoxybenzoyl)-, hydrochloride is 361.1081 g/mol.
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