TL;DR: 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanediol and 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine (CAS 110577-46-3) is a chemical compound with molecular formula C27H45NO13Si and molecular weight 619.266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzofuran-1,3-dione;butane-1,3-diol;ethane-1,2-diol;furan-2,5-dione;3-triethoxysilylpropan-1-amine
Also Known As: 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanediol and 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine, butane-1,3-diol; ethylene glycol; furan-2,5-dione; isobenzofuran-1,3-dione; 3-triethoxysilylpropan-1-amine, (C9-H23-N-O3-Si.C8-H4-O3.C4-H10-O2.C4-H2-O3.C2-H6-O2)x-, 2,5-Furanedione, polymer with 1,3-butandiol, 1,2-ethanediol and 1,3-isobenzofuranedione, reaction product with 9-(triethoxysilyl)-1-propanamine, 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanedioland 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine
| Molecular Formula | C27H45NO13Si |
| Molecular Weight | 619.266 g/mol |
| XLogP | 0.7274 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 619.266 Da |
| Heavy Atoms | 42 |
| Complexity | 469.0 |
| SMILES | CCO[Si](CCCN)(OCC)OCC.CC(CCO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)O |
| InChIKey | SSUUSZHZYYUGRE-UHFFFAOYSA-N |
The XLogP value of 0.7274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanediol and 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine. The TPSA of 221.0 Ų indicates high polarity, suggesting 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanediol and 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanediol and 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanediol and 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine is 110577-46-3.
The molecular formula of 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanediol and 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine is C27H45NO13Si.
The molecular weight of 1,3-Isobenzofurandione, polymer with 1,3-butanediol, 1,2-ethanediol and 2,5-furandione, reaction products with 3-(triethoxysilyl)-1-propanamine is 619.266 g/mol.
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