TL;DR: 12,15-Dihydroxy-7-methyl-8-oxabicyclo(11.3.0)hexadeca-2,10-dien-9-one (CAS 20350-15-6) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.16745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
Also Known As: brefeldin A, Ascotoxin, Nectrolide, Synergisidin, Cyanaein
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H24O4 |
| Molecular Weight | 280.16745 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.16745 Da |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
| SMILES | CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O |
| InChIKey | KQNZDYYTLMIZCT-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,15-Dihydroxy-7-methyl-8-oxabicyclo(11.3.0)hexadeca-2,10-dien-9-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,15-Dihydroxy-7-methyl-8-oxabicyclo(11.3.0)hexadeca-2,10-dien-9-one. Following Lipinski's Rule of Five, 12,15-Dihydroxy-7-methyl-8-oxabicyclo(11.3.0)hexadeca-2,10-dien-9-one 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 12,15-Dihydroxy-7-methyl-8-oxabicyclo(11.3.0)hexadeca-2,10-dien-9-one is 20350-15-6.
The molecular formula of 12,15-Dihydroxy-7-methyl-8-oxabicyclo(11.3.0)hexadeca-2,10-dien-9-one is C16H24O4.
The molecular weight of 12,15-Dihydroxy-7-methyl-8-oxabicyclo(11.3.0)hexadeca-2,10-dien-9-one is 280.16745 g/mol.
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