TL;DR: 2-Butenedioic acid (2E)-, 1-(2-(2-hydroxyethoxy)ethyl) 4-(2-hydroxypropyl) ester (CAS 125304-16-7) is a chemical compound with molecular formula C11H18O7 and molecular weight 262.10526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-O-ethyl 1-O-(2-hydroxypropyl) (E)-2-(2-hydroxyethoxy)but-2-enedioate
Also Known As: 2-Butenedioic acid (2E)-, 2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl ester, 2-Butenedioic acid (2E)-, 1-(2-(2-hydroxyethoxy)ethyl) 4-(2-hydroxypropyl) ester, 4-O-ethyl 1-O-(2-hydroxypropyl) (E)-2-(2-hydroxyethoxy)but-2-enedioate, 2-Butenedioic acid (2E)-, 1-[2-(2-hydroxyethoxy)ethyl] 4-(2-hydroxypropyl) ester
| Molecular Formula | C11H18O7 |
| Molecular Weight | 262.10526 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 262.10526 Da |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
| SMILES | CCOC(=O)/C=C(\C(=O)OCC(C)O)/OCCO |
| InChIKey | CBINTRBLWFIJON-RMKNXTFCSA-N |
The XLogP value of -0.2 indicates that 2-Butenedioic acid (2E)-, 1-(2-(2-hydroxyethoxy)ethyl) 4-(2-hydroxypropyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid (2E)-, 1-(2-(2-hydroxyethoxy)ethyl) 4-(2-hydroxypropyl) ester. Following Lipinski's Rule of Five, 2-Butenedioic acid (2E)-, 1-(2-(2-hydroxyethoxy)ethyl) 4-(2-hydroxypropyl) ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Butenedioic acid (2E)-, 1-(2-(2-hydroxyethoxy)ethyl) 4-(2-hydroxypropyl) ester is 125304-16-7.
The molecular formula of 2-Butenedioic acid (2E)-, 1-(2-(2-hydroxyethoxy)ethyl) 4-(2-hydroxypropyl) ester is C11H18O7.
The molecular weight of 2-Butenedioic acid (2E)-, 1-(2-(2-hydroxyethoxy)ethyl) 4-(2-hydroxypropyl) ester is 262.10526 g/mol.
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