TL;DR: 2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester (CAS 52408-42-1) is a chemical compound with molecular formula C16H26O8 and molecular weight 346.16278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-hydroxy-3-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)butoxy]propyl] prop-2-enoate
Also Known As: EC 257-900-3, 1,4-BUTANEDIYLBIS[OXY(2-HYDROXY-3,1-PROPANEDIYL)] DIACRYLATE, 1,4-Bis(3-acryloxy-2-hydroxypropoxy)butane, 2-Propenoic acid, 1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl)) ester, 1,4-Butanediylbis(oxy(2-hydroxy-3,1-propanediyl)) diacrylate
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H26O8 |
| Molecular Weight | 346.16278 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 346.16278 Da |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
| SMILES | C=CC(=O)OCC(COCCCCOCC(COC(=O)C=C)O)O |
| InChIKey | QIPOUSKNIMYTRA-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester is 52408-42-1.
The molecular formula of 2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester is C16H26O8.
The molecular weight of 2-Propenoic acid, 1,1'-(1,4-butanediylbis(oxy(2-hydroxy-3,1-propanediyl))) ester is 346.16278 g/mol.
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