TL;DR: 1-(2-chloroethyl)-3-(4-iodophenyl)urea (CAS 146257-20-7) is a chemical compound with molecular formula C9H10ClIN2O and molecular weight 323.95264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(4-iodophenyl)urea
Also Known As: 1-(2-chloroethyl)-3-(4-iodophenyl)urea, N-(2-Chloroethyl)-N'-(4-iodophenyl)urea, Urea, N-(2-chloroethyl)-N'-(4-iodophenyl)-, 3-(2-chloroethyl)-1-(4-iodophenyl)urea, 1-(4-Iodophenyl)-3-(2-chloroethyl)urea
| Molecular Formula | C9H10ClIN2O |
| Molecular Weight | 323.95264 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.95264 Da |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
| SMILES | C1=CC(=CC=C1NC(=O)NCCCl)I |
| InChIKey | XBAXWLOJAOWLNT-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-chloroethyl)-3-(4-iodophenyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-chloroethyl)-3-(4-iodophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chloroethyl)-3-(4-iodophenyl)urea 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 1-(2-chloroethyl)-3-(4-iodophenyl)urea is 146257-20-7.
The molecular formula of 1-(2-chloroethyl)-3-(4-iodophenyl)urea is C9H10ClIN2O.
The molecular weight of 1-(2-chloroethyl)-3-(4-iodophenyl)urea is 323.95264 g/mol.
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