TL;DR: 5-(Hydroxymethyl)-2-methylfuran-3-carboxylic acid (CAS 15341-68-1) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
Also Known As: 5-(hydroxymethyl)-2-methylfuran-3-carboxylic acid, 5-(hydroxymethyl)-2-methyl-3-furoic acid, 5-(Hydroxymethyl)-2-methylfuran-3-carboxylicacid, 5-hydroxymethyl-2-methyl-furan-3-carboxylic acid, 5-(hydroxymethyl)-2-methyl-furan-3-carboxylic Acid
| Molecular Formula | C7H8O4 |
| Molecular Weight | 156.04225 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.04225 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| SMILES | CC1=C(C=C(O1)CO)C(=O)O |
| InChIKey | CUGVJULTCGYVRR-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Hydroxymethyl)-2-methylfuran-3-carboxylic acid. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Hydroxymethyl)-2-methylfuran-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(Hydroxymethyl)-2-methylfuran-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(Hydroxymethyl)-2-methylfuran-3-carboxylic acid is 15341-68-1.
The molecular formula of 5-(Hydroxymethyl)-2-methylfuran-3-carboxylic acid is C7H8O4.
The molecular weight of 5-(Hydroxymethyl)-2-methylfuran-3-carboxylic acid is 156.04225 g/mol.
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