TL;DR: Dihydrogladiolic acid (CAS 10088-78-5) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-formyl-3-(hydroxymethyl)-6-methoxy-5-methylbenzoic acid
Also Known As: Dihydrogladiolic acid, Gladiolic acid, dihydro-, 2-Formyl-3-(hydroxymethyl)-6-methoxy-5-methylbenzoic acid, Phthalaldehydic acid, 3-(hydroxymethyl)-6-methoxy-5-methyl-, Benzoic acid, 2-formyl-3-(hydroxymethyl)-6-methoxy-5-methyl-
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.06847 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.06847 Da |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
| SMILES | CC1=CC(=C(C(=C1OC)C(=O)O)C=O)CO |
| InChIKey | KINUBXBOAZOHHO-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrogladiolic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydrogladiolic acid. Following Lipinski's Rule of Five, Dihydrogladiolic acid 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 Dihydrogladiolic acid is 10088-78-5.
The molecular formula of Dihydrogladiolic acid is C11H12O5.
The molecular weight of Dihydrogladiolic acid is 224.06847 g/mol.
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