TL;DR: 3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene (CAS 2565-21-1) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3-tris(prop-2-enoxy)propane
Also Known As: Propane, 1,2,3-tris(allyloxy)-, 1,2,3-triallyloxypropane, 1,2,3-tris-(allyloxy)-propane, 1,2,3-tri-O-allylglycerol, 1,2,3-tris(prop-2-enoxy)propane
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.14125 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 212.14125 Da |
| Heavy Atoms | 15 |
| Complexity | 164.0 |
| SMILES | C=CCOCC(COCC=C)OCC=C |
| InChIKey | BXZCTALFGYLMTD-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene. With a topological polar surface area (TPSA) of 27.7 Ų, 3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene is 2565-21-1.
The molecular formula of 3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene is C12H20O3.
The molecular weight of 3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene is 212.14125 g/mol.
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