TL;DR: Urea, 1-(2-diethylaminopropionyl)-3-(1-indanyl)-, picrate (CAS 63980-75-6) is a chemical compound with molecular formula C23H28N6O9 and molecular weight 532.1918 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylamino)-N-(2,3-dihydro-1H-inden-1-ylcarbamoyl)propanamide;2,4,6-trinitrophenol
Also Known As: (4-chloro-2-methylphenyl)thiourea, 1-(2-Diethylaminopropionyl)-3-(1-indanyl)urea picrate, Urea, 1-(2-diethylaminopropionyl)-3-(1-indanyl)-, picrate, n-(2,3-dihydro-1h-inden-1-ylcarbamoyl)-n3,n3-diethyl-, A-alaninamide- 2,4,6-trinitrophenol(1:1)
| Molecular Formula | C23H28N6O9 |
| Molecular Weight | 532.1918 g/mol |
| XLogP | 3.35 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1918 Da |
| Heavy Atoms | 38 |
| Complexity | 674.0 |
| SMILES | CCN(CC)CCC(=O)NC(=O)NC1CCC2=CC=CC=C12.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XDSTTZBUABLSCQ-UHFFFAOYSA-N |
The XLogP value of 3.35 indicates that Urea, 1-(2-diethylaminopropionyl)-3-(1-indanyl)-, picrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.0 Ų indicates high polarity, suggesting Urea, 1-(2-diethylaminopropionyl)-3-(1-indanyl)-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, 1-(2-diethylaminopropionyl)-3-(1-indanyl)-, picrate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Urea, 1-(2-diethylaminopropionyl)-3-(1-indanyl)-, picrate is 63980-75-6.
The molecular formula of Urea, 1-(2-diethylaminopropionyl)-3-(1-indanyl)-, picrate is C23H28N6O9.
The molecular weight of Urea, 1-(2-diethylaminopropionyl)-3-(1-indanyl)-, picrate is 532.1918 g/mol.
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