TL;DR: Cohumulone (CAS 142628-20-4) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Also Known As: Cohumulone, co-humulone, (+/-)-cohumulone, (-)-Cohumulone, Phloroglucinol Impurity U
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.19366 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.19366 Da |
| Heavy Atoms | 25 |
| Complexity | 696.0 |
| SMILES | CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O |
| InChIKey | DRSITEVYZGOOQG-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Cohumulone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cohumulone. Following Lipinski's Rule of Five, Cohumulone has 3 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 Cohumulone is 142628-20-4.
The molecular formula of Cohumulone is C20H28O5.
The molecular weight of Cohumulone is 348.19366 g/mol.
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