TL;DR: Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)- (CAS 102434-33-3) is a chemical compound with molecular formula C14H15BrN2O and molecular weight 306.03677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromoethyl)-3-(naphthalen-1-ylmethyl)urea
Also Known As: Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)-, 1-(2-Bromoethyl)-3-(1-naphthalenemethyl)urea, 1-(2-Bromoethyl)-3-(1-naphthylmethyl)urea, 1-(2-bromoethyl)-3-(naphthalen-1-ylmethyl)urea, 3-(2-bromoethyl)-1-[(naphthalen-1-yl)methyl]urea
| Molecular Formula | C14H15BrN2O |
| Molecular Weight | 306.03677 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.03677 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CNC(=O)NCCBr |
| InChIKey | IDDFUWIMESBRMG-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)-. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)- has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)- is 102434-33-3.
The molecular formula of Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)- is C14H15BrN2O.
The molecular weight of Urea, 1-(2-bromoethyl)-3-(1-naphthylmethyl)- is 306.03677 g/mol.
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