TL;DR: 1-[(2-Hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol (CAS 104411-79-2) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
Also Known As: 3,3'-iminobis(1-phenoxypropan-2-ol), 2-Propanol, 1,1'-iminobis[3-phenoxy-, 1-[(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol, 1,1'-Azanediylbis(3-phenoxypropan-2-ol), AB01334792-02
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.16272 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 71.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 317.16272 Da |
| Heavy Atoms | 23 |
| Complexity | 263.0 |
| SMILES | C1=CC=C(C=C1)OCC(CNCC(COC2=CC=CC=C2)O)O |
| InChIKey | VLWOYPVPCIUXFG-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol. Following Lipinski's Rule of Five, 1-[(2-Hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol has 3 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-Hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol is 104411-79-2.
The molecular formula of 1-[(2-Hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol is C18H23NO4.
The molecular weight of 1-[(2-Hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol is 317.16272 g/mol.
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