TL;DR: Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride (CAS 78109-78-1) is a chemical compound with molecular formula C19H33ClN2O4 and molecular weight 388.2129 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-hydroxyethyl)-[3-[[2-(3-methylbutoxy)benzoyl]amino]propyl]azanium chloride
Also Known As: D-702, N-(3-(Bis(2-hydroxyethyl)amino)propyl)-o-isopentoxybenzamide hydrochloride, BENZAMIDE, N-(3-(BIS(2-HYDROXYETHYL)AMINO)PROPYL)-o-ISOPENTOXY-, HYDROCHLORIDE, Benzamide, N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-(3-methylbutoxy)-, monohydrochloride, bis(2-hydroxyethyl)-[3-[[2-(3-methylbutoxy)benzoyl]amino]propyl]azanium chloride
| Molecular Formula | C19H33ClN2O4 |
| Molecular Weight | 388.2129 g/mol |
| XLogP | -2.9 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 388.2129 Da |
| Heavy Atoms | 26 |
| Complexity | 346.0 |
| SMILES | CC(C)CCOC1=CC=CC=C1C(=O)NCCC[NH+](CCO)CCO.[Cl-] |
| InChIKey | MGSDUXNQYCKNAZ-UHFFFAOYSA-N |
The XLogP value of -2.9 indicates that Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride. Following Lipinski's Rule of Five, Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride has 4 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 Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride is 78109-78-1.
The molecular formula of Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride is C19H33ClN2O4.
The molecular weight of Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride is 388.2129 g/mol.
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