TL;DR: 1,2-Propanediol, 3-(o-(2-(diethylamino)ethoxy)phenoxy)- (CAS 101086-68-4) is a chemical compound with molecular formula C15H25NO4 and molecular weight 283.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[2-(diethylamino)ethoxy]phenoxy]propane-1,2-diol
Also Known As: 3-(o-(2-(Diethylamino)ethoxy)phenoxy)-1,2-propanediol, 4-06-00-05592 (Beilstein Handbook Reference), 1,2-Propanediol, 3-(o-(2-(diethylamino)ethoxy)phenoxy)-, 3-[2-(2-diethylaminoethyloxy)phenoxy]propane-1,2-diol, 3-[2-[2-(diethylamino)ethoxy]phenoxy]propane-1,2-diol
| Molecular Formula | C15H25NO4 |
| Molecular Weight | 283.17834 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 283.17834 Da |
| Heavy Atoms | 20 |
| Complexity | 236.0 |
| SMILES | CCN(CC)CCOC1=CC=CC=C1OCC(CO)O |
| InChIKey | QAONXFQRPLAWNL-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(o-(2-(diethylamino)ethoxy)phenoxy)-. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-(o-(2-(diethylamino)ethoxy)phenoxy)-. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(o-(2-(diethylamino)ethoxy)phenoxy)- 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 1,2-Propanediol, 3-(o-(2-(diethylamino)ethoxy)phenoxy)- is 101086-68-4.
The molecular formula of 1,2-Propanediol, 3-(o-(2-(diethylamino)ethoxy)phenoxy)- is C15H25NO4.
The molecular weight of 1,2-Propanediol, 3-(o-(2-(diethylamino)ethoxy)phenoxy)- is 283.17834 g/mol.
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