TL;DR: KST-1A0696 (CAS 114942-10-8) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R)-4-methyl-1-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: KST-1A0696, (1r)-4-methyl-1-[(1r)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylic acid, 3-Cyclohexene-1-carboxylic acid, 4-methyl-1-(1-methyl-2-methylenecyclopentyl)-, (R*,R*)-, 3-Cyclohexene-1-carboxylicacid, 4-methyl-1-[(1R)-1-methyl-2-methylenecyclopentyl]-, (1R)-rel-, (1R)-4-methyl-1-[(1R)-1-methyl-2-methylidene-cyclopentyl]cyclohex-3-ene-1-carboxylic Acid
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.16199 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.16199 Da |
| Heavy Atoms | 17 |
| Complexity | 394.0 |
| SMILES | CC1=CC[C@@](CC1)(C(=O)O)[C@@]2(CCCC2=C)C |
| InChIKey | MEYYMVYRSTWRLN-HUUCEWRRSA-N |
The XLogP value of 3.2 indicates that KST-1A0696 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-1A0696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A0696 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-1A0696 is 114942-10-8.
The molecular formula of KST-1A0696 is C15H22O2.
The molecular weight of KST-1A0696 is 234.16199 g/mol.
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