TL;DR: 1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2 (CAS 81733-16-6) is a chemical compound with molecular formula C11H23Cl2N4O4P and molecular weight 376.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]oxy]-3-ethyl-1-methylurea
Also Known As: 1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2, Urea, N-((2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)oxy)-N'-ethyl-N-methyl-, P-oxide, N-({2-[Bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-4-yl}oxy)-N'-ethyl-N-methylcarbamimidic acid
| Molecular Formula | C11H23Cl2N4O4P |
| Molecular Weight | 376.0834 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 376.0834 Da |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
| SMILES | CCNC(=O)N(C)OC1CCOP(=O)(N1)N(CCCl)CCCl |
| InChIKey | HUUSONQVVVTSKO-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2. Following Lipinski's Rule of Five, 1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2 is 81733-16-6.
The molecular formula of 1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2 is C11H23Cl2N4O4P.
The molecular weight of 1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2 is 376.0834 g/mol.
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