TL;DR: Urea, 1-(5-acenaphthenyl)-3-(2-chloroethyl)- (CAS 102694-28-0) is a chemical compound with molecular formula C15H15ClN2O and molecular weight 274.08728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(1,2-dihydroacenaphthylen-5-yl)urea
Also Known As: Tyledoside G, Urea, 1-(5-acenaphthenyl)-3-(2-chloroethyl)-, 1-(2-Chloroethyl)-3-(5-acenaphthenyl)urea, 1-(5-Acenaphthenyl)-3-(2-chloroethyl)urea, KST-1A9617
| Molecular Formula | C15H15ClN2O |
| Molecular Weight | 274.08728 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.08728 Da |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
| SMILES | C1CC2=CC=C(C3=CC=CC1=C23)NC(=O)NCCCl |
| InChIKey | PRSFQUNLUKUNEF-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Urea, 1-(5-acenaphthenyl)-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-(5-acenaphthenyl)-3-(2-chloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(5-acenaphthenyl)-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-(5-acenaphthenyl)-3-(2-chloroethyl)- is 102694-28-0.
The molecular formula of Urea, 1-(5-acenaphthenyl)-3-(2-chloroethyl)- is C15H15ClN2O.
The molecular weight of Urea, 1-(5-acenaphthenyl)-3-(2-chloroethyl)- is 274.08728 g/mol.
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