TL;DR: 1,3-Propanediol, 2-ethyl-2-[[(2-hydroxyphenyl)methylene]amino]- (CAS 143331-88-8) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-2-[(2-hydroxyphenyl)methylideneamino]propane-1,3-diol
Also Known As: 1,3-Propanediol, 2-ethyl-2-[[(2-hydroxyphenyl)methylene]amino]-, 2-(Salicylideneamino)-2-ethyl-1,3-propanediol, 2-[[[1,1-Bis(hydroxymethyl)propyl]imino]methyl]phenol, 2-ethyl-2-(2-hydroxybenzylideneamino)propane-1,3-diol, N-[1,1-Bis(hydroxymethyl)propyl]-2-hydroxybenzenemethaneimine
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.12085 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 Da |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
| SMILES | CCC(CO)(CO)N=CC1=CC=CC=C1O |
| InChIKey | YQELQYWLNYRADN-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-[[(2-hydroxyphenyl)methylene]amino]-. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-ethyl-2-[[(2-hydroxyphenyl)methylene]amino]-. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-[[(2-hydroxyphenyl)methylene]amino]- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Propanediol, 2-ethyl-2-[[(2-hydroxyphenyl)methylene]amino]- is 143331-88-8.
The molecular formula of 1,3-Propanediol, 2-ethyl-2-[[(2-hydroxyphenyl)methylene]amino]- is C12H17NO3.
The molecular weight of 1,3-Propanediol, 2-ethyl-2-[[(2-hydroxyphenyl)methylene]amino]- is 223.12085 g/mol.
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