TL;DR: Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate (CAS 101418-17-1) is a chemical compound with molecular formula C21H25N5O8 and molecular weight 475.17032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium;2,4,6-trinitrophenolate
Also Known As: 3,4-Dihydro-1-(2-(diethylamino)ethyl)carbostyril picrate, CARBOSTYRIL, 3,4-DIHYDRO-1-(2-(DIETHYLAMINO)ETHYL)-, PICRATE, 3,4-Dihydro-1-(2-(diethylamino)ethyl)carbostyrilpicrate, diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium;2,4,6-trinitrophenolate, diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium; 2,4,6-trinitrophenolate
| Molecular Formula | C21H25N5O8 |
| Molecular Weight | 475.17032 g/mol |
| XLogP | 1.38 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.17032 Da |
| Heavy Atoms | 34 |
| Complexity | 567.0 |
| SMILES | CC[NH+](CC)CCN1C(=O)CCC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MVBBJMDUOXYILA-UHFFFAOYSA-N |
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate. The TPSA of 185.0 Ų indicates high polarity, suggesting Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate is 101418-17-1.
The molecular formula of Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate is C21H25N5O8.
The molecular weight of Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate is 475.17032 g/mol.
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