TL;DR: Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)- (CAS 15145-37-6) is a chemical compound with molecular formula C9H9Cl3N2O and molecular weight 265.97806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(3,4-dichlorophenyl)urea
Also Known As: 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)urea, F-Cyc(clfc)ome, chloroethyldichlorophenylurea, For-cyclo(cys-leu-phe-cys)ome, N-(2-CHLOROETHYL)-N'-(3,4-DICHLOROPHENYL)UREA
| Molecular Formula | C9H9Cl3N2O |
| Molecular Weight | 265.97806 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.97806 Da |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| SMILES | C1=CC(=C(C=C1NC(=O)NCCCl)Cl)Cl |
| InChIKey | NAGCPPYNSJHGKC-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)- 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-(2-chloroethyl)-3-(3,4-dichlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)- 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-(2-chloroethyl)-3-(3,4-dichlorophenyl)- is 15145-37-6.
The molecular formula of Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)- is C9H9Cl3N2O.
The molecular weight of Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)- is 265.97806 g/mol.
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