TL;DR: Urea, 1-(1-anthryl)-3-(2-chloroethyl)- (CAS 102561-42-2) is a chemical compound with molecular formula C17H15ClN2O and molecular weight 298.08728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-anthracen-1-yl-3-(2-chloroethyl)urea
Also Known As: 1-(1-Anthryl)-3-(2-chloroethyl)urea, Urea, 1-(1-anthryl)-3-(2-chloroethyl)-, 1-anthracen-1-yl-3-(2-chloroethyl)urea, Urea,N-1-anthracenyl-N'-(2-chloroethyl)-, Urea,1-(1-anthryl)-3-(2-chloroethyl)
| Molecular Formula | C17H15ClN2O |
| Molecular Weight | 298.08728 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.08728 Da |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C=CC=C3NC(=O)NCCCl |
| InChIKey | CKZJPSNXOGOVIV-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Urea, 1-(1-anthryl)-3-(2-chloroethyl)- 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, 1-(1-anthryl)-3-(2-chloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(1-anthryl)-3-(2-chloroethyl)- 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-(1-anthryl)-3-(2-chloroethyl)- is 102561-42-2.
The molecular formula of Urea, 1-(1-anthryl)-3-(2-chloroethyl)- is C17H15ClN2O.
The molecular weight of Urea, 1-(1-anthryl)-3-(2-chloroethyl)- is 298.08728 g/mol.
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