TL;DR: Urea, 1-(2-bromoethyl)-3-methyl-3-(1-naphthyl)- (CAS 102434-29-7) 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.
3-(2-bromoethyl)-1-methyl-1-naphthalen-1-ylurea
Also Known As: 3-(2-Bromoethyl)-1-methyl-1-(1-naphthyl)urea, Urea, 1-(2-bromoethyl)-3-methyl-3-(1-naphthyl)-, 3-(2-bromoethyl)-1-methyl-1-naphthalen-1-ylurea, 3-(2-bromoethyl)-1-methyl-1-naphthalen-1-yl-urea, Urea,N'-(2-bromoethyl)-N-methyl-N-1-naphthalenyl-
| Molecular Formula | C14H15BrN2O |
| Molecular Weight | 306.03677 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.03677 Da |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
| SMILES | CN(C1=CC=CC2=CC=CC=C21)C(=O)NCCBr |
| InChIKey | WVJVTGNCRLVKTL-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Urea, 1-(2-bromoethyl)-3-methyl-3-(1-naphthyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Urea, 1-(2-bromoethyl)-3-methyl-3-(1-naphthyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-bromoethyl)-3-methyl-3-(1-naphthyl)- has 1 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-methyl-3-(1-naphthyl)- is 102434-29-7.
The molecular formula of Urea, 1-(2-bromoethyl)-3-methyl-3-(1-naphthyl)- is C14H15BrN2O.
The molecular weight of Urea, 1-(2-bromoethyl)-3-methyl-3-(1-naphthyl)- is 306.03677 g/mol.
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