TL;DR: Triptoquinone A (CAS 142950-86-5) is a chemical compound with molecular formula C20H24O4 and molecular weight 328.16745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,10aS)-1,4a-dimethyl-5,8-dioxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
Also Known As: Triptoquinone A, Tryptoquinone A, Triptoquinonea, (+)-Triptoquinone A, HY-N8444
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.16745 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.16745 Da |
| Heavy Atoms | 24 |
| Complexity | 748.0 |
| SMILES | CC1=C(CC[C@]2([C@H]1CCC3=C2C(=O)C=C(C3=O)C(C)C)C)C(=O)O |
| InChIKey | PDPFWAJAYGLYHD-YWZLYKJASA-N |
The XLogP value of 3.0 indicates that Triptoquinone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Triptoquinone A. Following Lipinski's Rule of Five, Triptoquinone A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Triptoquinone A is 142950-86-5.
The molecular formula of Triptoquinone A is C20H24O4.
The molecular weight of Triptoquinone A is 328.16745 g/mol.
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