TL;DR: 2a,7b-Dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran (CAS 128753-94-6) is a chemical compound with molecular formula C10H10O5 and molecular weight 210.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2a-(hydroxymethyl)dioxeto[3,4-b][1]benzofuran-7b-yl]methanol
Also Known As: 1,2-Dioxeto[3,4-b]benzofuran-2a,7b-dimethanol, [2a-(hydroxymethyl)dioxeto[3,4-b][1]benzofuran-7b-yl]methanol, 2a,7b-Dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran, ([1,2]Dioxeto[3,4-b][1]benzofuran-2a,7b-diyl)dimethanol, 2a,7b-Dihydro-7-methoxy-2a,7b-dimethyl-1,2-dioxeto<3,4-b>benzofuran
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.05283 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.05283 Da |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
| SMILES | C1=CC=C2C(=C1)C3(C(O2)(OO3)CO)CO |
| InChIKey | YZOCFYKVNLJKHN-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 2a,7b-Dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2a,7b-Dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran. Following Lipinski's Rule of Five, 2a,7b-Dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran has 2 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 2a,7b-Dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran is 128753-94-6.
The molecular formula of 2a,7b-Dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran is C10H10O5.
The molecular weight of 2a,7b-Dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran is 210.05283 g/mol.
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