TL;DR: KST-1A1139 (CAS 13390-78-8) is a chemical compound with molecular formula C20H30O2 and molecular weight 302.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,3bS,5aS,6S,8aS,8bS)-6-[(1R)-1-hydroxyethyl]-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
Also Known As: KST-1A1139, (3ar,3bs,5as,6s,8as,8bs)-6-[(1r)-1-hydroxyethyl]-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-one, (3aR,3bS,5aS,6S,8aS,8bS)-6-[(1R)-1-hydroxyethyl]-3a,5a-dimet, (3aR,3bS,5aS,6S,8aS,8bS)-6-[(1R)-1-hydroxyethyl]-3a,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e]inden-2-one
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.22458 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.22458 Da |
| Heavy Atoms | 22 |
| Complexity | 536.0 |
| SMILES | C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C[C@]34C)C)O |
| InChIKey | NQUWVDWNFTXZNH-TYXSOELRSA-N |
The XLogP value of 4.0 indicates that KST-1A1139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, KST-1A1139 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A1139 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of KST-1A1139 is 13390-78-8.
The molecular formula of KST-1A1139 is C20H30O2.
The molecular weight of KST-1A1139 is 302.22458 g/mol.
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