TL;DR: Urea, 1-(2-bromoethyl)-3-(4-methoxy-1-naphthylmethyl)- (CAS 102434-28-6) is a chemical compound with molecular formula C15H17BrN2O2 and molecular weight 336.04733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromoethyl)-3-[(4-methoxynaphthalen-1-yl)methyl]urea
Also Known As: 1-(2-Bromoethyl)-3-(4-methoxy-1-naphthalenemethyl)urea, Urea, 1-(2-bromoethyl)-3-(4-methoxy-1-naphthylmethyl)-, 1-(2-bromoethyl)-3-[(4-methoxynaphthalen-1-yl)methyl]urea, Urea,N-(2-bromoethyl)-N-ethyl-N'-1-naphthalenyl, 1-(2-Bromoethyl)-3-[(4-methoxy-1-naphthyl)methyl]urea
| Molecular Formula | C15H17BrN2O2 |
| Molecular Weight | 336.04733 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.04733 Da |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
| SMILES | COC1=CC=C(C2=CC=CC=C21)CNC(=O)NCCBr |
| InChIKey | XUDZEEYTDRLXRO-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-bromoethyl)-3-(4-methoxy-1-naphthylmethyl)-. With a topological polar surface area (TPSA) of 50.4 Ų, Urea, 1-(2-bromoethyl)-3-(4-methoxy-1-naphthylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-bromoethyl)-3-(4-methoxy-1-naphthylmethyl)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, 1-(2-bromoethyl)-3-(4-methoxy-1-naphthylmethyl)- is 102434-28-6.
The molecular formula of Urea, 1-(2-bromoethyl)-3-(4-methoxy-1-naphthylmethyl)- is C15H17BrN2O2.
The molecular weight of Urea, 1-(2-bromoethyl)-3-(4-methoxy-1-naphthylmethyl)- is 336.04733 g/mol.
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