TL;DR: Urea, 3-(2-bromoethyl)-1-(3-bromo-2-naphthyl)- (CAS 102434-19-5) is a chemical compound with molecular formula C13H12Br2N2O and molecular weight 369.93164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromoethyl)-3-(3-bromonaphthalen-2-yl)urea
Also Known As: 3-(2-Bromoethyl)-1-(3-bromo-2-naphthyl)urea, Urea, 3-(2-bromoethyl)-1-(3-bromo-2-naphthyl)-, 1-(2-bromoethyl)-3-(3-bromonaphthalen-2-yl)urea, 1-(2-Bromoethyl)-3-(3-bromo-2-naphthyl)urea, Urea,N-(2-bromoethyl)-N'-(3-bromo-2-naphthalenyl)-
| Molecular Formula | C13H12Br2N2O |
| Molecular Weight | 369.93164 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.93164 Da |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
| SMILES | C1=CC=C2C=C(C(=CC2=C1)NC(=O)NCCBr)Br |
| InChIKey | KKRWNOZAVONGKE-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Urea, 3-(2-bromoethyl)-1-(3-bromo-2-naphthyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 3-(2-bromoethyl)-1-(3-bromo-2-naphthyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 3-(2-bromoethyl)-1-(3-bromo-2-naphthyl)- 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, 3-(2-bromoethyl)-1-(3-bromo-2-naphthyl)- is 102434-19-5.
The molecular formula of Urea, 3-(2-bromoethyl)-1-(3-bromo-2-naphthyl)- is C13H12Br2N2O.
The molecular weight of Urea, 3-(2-bromoethyl)-1-(3-bromo-2-naphthyl)- is 369.93164 g/mol.
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