TL;DR: K 76 carboxylic acid (CAS 71117-22-1) is a chemical compound with molecular formula C23H30O7 and molecular weight 418.19916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6'-formyl-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carboxylic acid
Also Known As: K 76 Carboxylic acid, K 76 Cooh, K-76COOH, K76 COOH, K-76 Monocarboxylic acid
| Molecular Formula | C23H30O7 |
| Molecular Weight | 418.19916 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.19916 Da |
| Heavy Atoms | 30 |
| Complexity | 722.0 |
| SMILES | CC1CCC2C(C(C(CC2(C13CC4=C(C=C(C(=C4O3)C(=O)O)C=O)O)C)O)O)(C)C |
| InChIKey | XGUFMAUYGBDFJS-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for K 76 carboxylic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for K 76 carboxylic acid. Following Lipinski's Rule of Five, K 76 carboxylic acid has 4 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 K 76 carboxylic acid is 71117-22-1.
The molecular formula of K 76 carboxylic acid is C23H30O7.
The molecular weight of K 76 carboxylic acid is 418.19916 g/mol.
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