TL;DR: Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso- (CAS 33021-93-1) is a chemical compound with molecular formula C13H18ClN3O2 and molecular weight 283.10876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)-1-nitrosourea
Also Known As: N- -N'- -N-nitrosourea, KST-1B3322, N-<2-Fluor-ethyl>-N'-nitro-harnstoff, Urea,.alpha.-dimethylphenethyl)-1-nitroso-, Urea,1-dimethyl-2-phenylethyl)-N-nitroso-
| Molecular Formula | C13H18ClN3O2 |
| Molecular Weight | 283.10876 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.10876 Da |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
| SMILES | CC(C)(CC1=CC=CC=C1)NC(=O)N(CCCl)N=O |
| InChIKey | HNFHQWTYUXBRNW-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso-. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso- has 1 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-(alpha,alpha-dimethylphenethyl)-1-nitroso- is 33021-93-1.
The molecular formula of Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso- is C13H18ClN3O2.
The molecular weight of Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso- is 283.10876 g/mol.
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