TL;DR: Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)- (CAS 10247-92-4) is a chemical compound with molecular formula C11H15ClN2O3 and molecular weight 258.07712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)urea
Also Known As: Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)-, KST-1A9585, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)urea, 1-(2-Chloroethyl)-3-(2,3-dimethoxy-phenyl)urea, Urea,N-(2-chloroethyl)-N'-(2,3-dimethoxyphenyl)-
| Molecular Formula | C11H15ClN2O3 |
| Molecular Weight | 258.07712 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.07712 Da |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
| SMILES | COC1=CC=CC(=C1OC)NC(=O)NCCCl |
| InChIKey | NIJCLNDMYVQPQX-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)-. With a topological polar surface area (TPSA) of 59.6 Ų, Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)- is 10247-92-4.
The molecular formula of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)- is C11H15ClN2O3.
The molecular weight of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)- is 258.07712 g/mol.
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