TL;DR: Urea, 1-(2-chloroethyl)-3-(2-indanyl)- (CAS 13908-31-1) is a chemical compound with molecular formula C12H15ClN2O and molecular weight 238.0873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
Also Known As: 1-(2-Chloroethyl)-3-(2-indanyl)urea, Urea, 1-(2-chloroethyl)-3-(2-indanyl)-, KST-1B0429, 1-(2-chloroethyl)-3-(2,3-dihydro-1h-inden-2-yl)urea, 1-(2-Chloroethyl)-3-(indan-2-yl)urea
| Molecular Formula | C12H15ClN2O |
| Molecular Weight | 238.0873 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0873 Da |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
| SMILES | C1C(CC2=CC=CC=C21)NC(=O)NCCCl |
| InChIKey | QSDXYNVLWIMBDY-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(2-indanyl)-. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 1-(2-chloroethyl)-3-(2-indanyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(2-indanyl)- 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-(2-indanyl)- is 13908-31-1.
The molecular formula of Urea, 1-(2-chloroethyl)-3-(2-indanyl)- is C12H15ClN2O.
The molecular weight of Urea, 1-(2-chloroethyl)-3-(2-indanyl)- is 238.0873 g/mol.
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