TL;DR: 3-(o-(2-(Dimethylamino)ethoxy)phenoxy)-1,2-propanediol (CAS 107410-32-2) is a chemical compound with molecular formula C13H21NO4 and molecular weight 255.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[2-(dimethylamino)ethoxy]phenoxy]propane-1,2-diol
Also Known As: 3-(o-(2-(Dimethylamino)ethoxy)phenoxy)-1,2-propanediol, 4-06-00-05592 (Beilstein Handbook Reference), 1,2-Propanediol, 3-(o-(2-(dimethylamino)ethoxy)phenoxy)-, 3-[2-(2-dimethylaminoethyloxy)phenoxy]propane-1,2-diol, 3-[2-[2-(dimethylamino)ethoxy]phenoxy]propane-1,2-diol
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.14706 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 255.14706 Da |
| Heavy Atoms | 18 |
| Complexity | 213.0 |
| SMILES | CN(C)CCOC1=CC=CC=C1OCC(CO)O |
| InChIKey | VQDKQJHOSHWSNX-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(o-(2-(Dimethylamino)ethoxy)phenoxy)-1,2-propanediol. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(o-(2-(Dimethylamino)ethoxy)phenoxy)-1,2-propanediol. Following Lipinski's Rule of Five, 3-(o-(2-(Dimethylamino)ethoxy)phenoxy)-1,2-propanediol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(o-(2-(Dimethylamino)ethoxy)phenoxy)-1,2-propanediol is 107410-32-2.
The molecular formula of 3-(o-(2-(Dimethylamino)ethoxy)phenoxy)-1,2-propanediol is C13H21NO4.
The molecular weight of 3-(o-(2-(Dimethylamino)ethoxy)phenoxy)-1,2-propanediol is 255.14706 g/mol.
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