TL;DR: Phomozin (CAS 131651-39-3) is a chemical compound with molecular formula C13H16O7 and molecular weight 284.0896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-3-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-2-methylbutanoic acid
Also Known As: Phomozin, J3.017.521B, (2S,3S)-3-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-2-methylbutanoic acid, Benzoic acid, 2,4-dihydroxy-6-methyl-, 2-carboxy-2-hydroxy-1-methylpropyl ester, (S-(R*,R*))-, (2S,3S)-3-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-2-methyl-butanoic Acid
| Molecular Formula | C13H16O7 |
| Molecular Weight | 284.0896 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.0896 Da |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
| SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H](C)[C@@](C)(C(=O)O)O)O)O |
| InChIKey | QSVPEWAFDQHCIN-CPFSXVBKSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phomozin. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phomozin. Following Lipinski's Rule of Five, Phomozin 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 Phomozin is 131651-39-3.
The molecular formula of Phomozin is C13H16O7.
The molecular weight of Phomozin is 284.0896 g/mol.
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