TL;DR: Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt) (CAS 1151-75-3) is a chemical compound with molecular formula C17H29NO6 and molecular weight 343.1995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-hydroxyethyl)amino]ethanol;2-methyl-2-(2-methylphenoxy)propanoic acid
Also Known As: 1H-Benzimidazole-1-methanethiol, Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt), 2-methyl-2-(2-methylphenoxy)propanoic acid- 2,2',2''-nitrilotriethanol(1:1), 2-[bis(2-hydroxyethyl)amino]ethanol,2-methyl-2-(2-methylphenoxy)propanoic acid, 2-[bis(2-hydroxyethyl)amino]ethanol; 2-methyl-2-(2-methylphenoxy)propanoic acid
| Molecular Formula | C17H29NO6 |
| Molecular Weight | 343.1995 g/mol |
| XLogP | 0.50232 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.1995 Da |
| Heavy Atoms | 24 |
| Complexity | 266.0 |
| SMILES | CC1=CC=CC=C1OC(C)(C)C(=O)O.C(CO)N(CCO)CCO |
| InChIKey | JSEDNPRNRNTUSH-UHFFFAOYSA-N |
The XLogP value of 0.50232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt). The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt). Following Lipinski's Rule of Five, Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt) has 4 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 Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt) is 1151-75-3.
The molecular formula of Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt) is C17H29NO6.
The molecular weight of Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt) is 343.1995 g/mol.
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