TL;DR: Kaur-16-ene-3,15-diol, 15-(2-methyl-2-butenoate), (3alpha,15beta(Z))- (CAS 102827-93-0) is a chemical compound with molecular formula C25H38O3 and molecular weight 386.2821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4S,6R,9R,10S,13S,15R)-6-hydroxy-5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] (Z)-2-methylbut-2-enoate
Also Known As: Kaur-16-ene-3,15-diol, 15-(2-methyl-2-butenoate), (3alpha,15beta(Z))-
| Molecular Formula | C25H38O3 |
| Molecular Weight | 386.2821 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.2821 Da |
| Heavy Atoms | 28 |
| Complexity | 719.0 |
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1C(=C)[C@H]2CC[C@@H]3C1(C2)CC[C@H]4[C@]3(CC[C@H](C4(C)C)O)C |
| InChIKey | VONUYFLABDZCHJ-MBVBNORWSA-N |
The XLogP value of 5.7 indicates that Kaur-16-ene-3,15-diol, 15-(2-methyl-2-butenoate), (3alpha,15beta(Z))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Kaur-16-ene-3,15-diol, 15-(2-methyl-2-butenoate), (3alpha,15beta(Z))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kaur-16-ene-3,15-diol, 15-(2-methyl-2-butenoate), (3alpha,15beta(Z))- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Kaur-16-ene-3,15-diol, 15-(2-methyl-2-butenoate), (3alpha,15beta(Z))- is 102827-93-0.
The molecular formula of Kaur-16-ene-3,15-diol, 15-(2-methyl-2-butenoate), (3alpha,15beta(Z))- is C25H38O3.
The molecular weight of Kaur-16-ene-3,15-diol, 15-(2-methyl-2-butenoate), (3alpha,15beta(Z))- is 386.2821 g/mol.
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