TL;DR: J1.613.088E (CAS 26235-09-6) is a chemical compound with molecular formula C10H16Cl3N5O2 and molecular weight 343.03696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[2-hydroxyethyl(methyl)amino]-6-(trichloromethyl)-1,3,5-triazin-2-yl]-methylamino]ethanol
Also Known As: J1.613.088E, 2-[[4-[2-hydroxyethyl(methyl)amino]-6-(trichloromethyl)-1,3,5-triazin-2-yl]-methylamino]ethanol, 2,2 -[[6-(Trichloromethyl)-s-triazine-2,4-diyl]bis(methylimino)]bisethanol, 2,2'-{[6-(Trichloromethyl)-1,3,5-triazine-2,4-diyl]bis(methylazanediyl)}di(ethan-1-ol), 2-({4-[(2-hydroxyethyl)(methyl)amino]-6-(trichloromethyl)-1,3,5-triazin-2-yl}(methyl)amino)ethan-1-ol
| Molecular Formula | C10H16Cl3N5O2 |
| Molecular Weight | 343.03696 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.03696 Da |
| Heavy Atoms | 20 |
| Complexity | 275.0 |
| SMILES | CN(CCO)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)N(C)CCO |
| InChIKey | XDRKVYCSHLPLMO-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.613.088E. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.613.088E. Following Lipinski's Rule of Five, J1.613.088E has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of J1.613.088E is 26235-09-6.
The molecular formula of J1.613.088E is C10H16Cl3N5O2.
The molecular weight of J1.613.088E is 343.03696 g/mol.
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