TL;DR: Gancaonin S (CAS 135330-18-6) is a chemical compound with molecular formula C24H30O4 and molecular weight 382.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-bis(3-methylbut-2-enyl)benzene-1,3-diol
Also Known As: Gancaonin S, 4-(2-(2,4-Bis((2E)-3-methylbut-2-enyl)-3,5-dihydroxyphenyl)ethyl)benzene-1,2-diol, 5-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-bis(3-methylbut-2-enyl)benzene-1,3-diol, 2,4-Bis(3-methyl-2-butenyl)-5-(3,4-dihydroxyphenethyl)-1,3-benzenediol, 4-{2-[2,4-Bis((2E)-3-methylbut-2-enyl)-3,5-dihydroxyphenyl]ethyl}benzene-1,2-diol
| Molecular Formula | C24H30O4 |
| Molecular Weight | 382.21442 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.21442 Da |
| Heavy Atoms | 28 |
| Complexity | 533.0 |
| SMILES | CC(=CCC1=C(C(=C(C=C1CCC2=CC(=C(C=C2)O)O)O)CC=C(C)C)O)C |
| InChIKey | VLJOWGMLRJTNDQ-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that Gancaonin S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Gancaonin S. Following Lipinski's Rule of Five, Gancaonin S has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Gancaonin S is 135330-18-6.
The molecular formula of Gancaonin S is C24H30O4.
The molecular weight of Gancaonin S is 382.21442 g/mol.
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