TL;DR: 4,6,8-Trihydroxy-11-capnosene-2,10-dione (CAS 142750-40-1) is a chemical compound with molecular formula C20H32O5 and molecular weight 352.22498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione
Also Known As: THCD, 4,6,8-Trihydroxy-11-capnosene-2,10-dione, (1R*,3S*,3aR*,5S*,8Z,12R*,12aR*)-(-)-2,3,3a,6,7,11,12,12a-Octahydro-1,3,12-trihydroxy-3,8,12-trimethyl-5-(1-methylethyl)-4,10(1H,5H)-cyclopentacycloundecenedione, (1S*,3R*,4S*,6R*,7R*,8R*,11Z)-4,6,8-Trihydroxy-11-capnosene-2,10-dione, (1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione
| Molecular Formula | C20H32O5 |
| Molecular Weight | 352.22498 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.22498 Da |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
| SMILES | C/C/1=C/C(=O)C[C@@]([C@H]2[C@@H](C[C@]([C@@H]2C(=O)[C@@H](CC1)C(C)C)(C)O)O)(C)O |
| InChIKey | NVOWAVFZSKWQPR-DYKTZABPSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,8-Trihydroxy-11-capnosene-2,10-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6,8-Trihydroxy-11-capnosene-2,10-dione. Following Lipinski's Rule of Five, 4,6,8-Trihydroxy-11-capnosene-2,10-dione has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,6,8-Trihydroxy-11-capnosene-2,10-dione is 142750-40-1.
The molecular formula of 4,6,8-Trihydroxy-11-capnosene-2,10-dione is C20H32O5.
The molecular weight of 4,6,8-Trihydroxy-11-capnosene-2,10-dione is 352.22498 g/mol.
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