TL;DR: Urea, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-naphthyl)- (CAS 102434-16-2) is a chemical compound with molecular formula C14H17BrN2O and molecular weight 308.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-3-bromoprop-2-enyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
Also Known As: Urea, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-naphthyl)-, 1-(3-Bromoallyl)-3-(1-(1,2,3,4-tetrahydronaphthyl))urea, 1-(3-Bromoallyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea, 1-[(E)-3-bromoprop-2-enyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea, 3-(3-bromoprop-2-en-1-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
| Molecular Formula | C14H17BrN2O |
| Molecular Weight | 308.05243 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.05243 Da |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
| SMILES | C1CC(C2=CC=CC=C2C1)NC(=O)NC/C=C/Br |
| InChIKey | AZOOAXBXLUHOCJ-RUDMXATFSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-naphthyl)-. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-naphthyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-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, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-naphthyl)- is 102434-16-2.
The molecular formula of Urea, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-naphthyl)- is C14H17BrN2O.
The molecular weight of Urea, 1-(3-bromoallyl)-3-(1,2,3,4-tetrahydro-1-naphthyl)- is 308.05243 g/mol.
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