TL;DR: Goniothalamicin (CAS 1401812-26-7) is a chemical compound with molecular formula C35H64O7 and molecular weight 596.4652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-[2,8,11-trihydroxy-11-[5-(1-hydroxypentadecyl)oxolan-2-yl]undecyl]-2H-furan-5-one
Also Known As: Goniothalamicin, cis-Goniothalamicin, 2-Bromodibenzothiophene, NCI60_005295, 2-methyl-4-[2,8,11-trihydroxy-11-[5-(1-hydroxypentadecyl)oxolan-2-yl]undecyl]-2H-furan-5-one
| Molecular Formula | C35H64O7 |
| Molecular Weight | 596.4652 g/mol |
| XLogP | 8.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 26 |
| Exact Mass | 596.4652 Da |
| Heavy Atoms | 42 |
| Complexity | 726.0 |
| SMILES | CCCCCCCCCCCCCCC(C1CCC(O1)C(CCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O |
| InChIKey | NBVJDUCRUAUMAA-UHFFFAOYSA-N |
The XLogP value of 8.8 indicates that Goniothalamicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Goniothalamicin. Following Lipinski's Rule of Five, Goniothalamicin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Goniothalamicin is 1401812-26-7.
The molecular formula of Goniothalamicin is C35H64O7.
The molecular weight of Goniothalamicin is 596.4652 g/mol.
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