TL;DR: Claenone (CAS 112790-42-8) 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.
(1R,3R,8Z)-1,5,9-trimethyl-13-propan-2-ylidene-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-14-one
Also Known As: Claenone, (1R,3R,5R,8E,12S)-1,5,9-trimethyl-13-propan-2-ylidene-4-oxatricyclo(10.3.0.03,5)pentadec-8-en-14-one, (1R,3R,5R,8E,12S)-1,5,9-trimethyl-13-propan-2-ylidene-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-14-one, (1R,3R,8Z)-1,5,9-trimethyl-13-propan-2-ylidene-4-oxatricyclo(10.3.0.03,5)pentadec-8-en-14-one, (1R,3R,8Z)-1,5,9-trimethyl-13-propan-2-ylidene-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-14-one
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.22458 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.22458 Da |
| Heavy Atoms | 22 |
| Complexity | 552.0 |
| SMILES | C/C/1=C/CCC2([C@H](O2)C[C@@]3(CC(=O)C(=C(C)C)C3CC1)C)C |
| InChIKey | WIQJIYQQVYRKPQ-KAGDPKRISA-N |
The XLogP value of 4.2 indicates that Claenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.6 Ų, Claenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Claenone has 0 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 Claenone is 112790-42-8.
The molecular formula of Claenone is C20H30O2.
The molecular weight of Claenone is 302.22458 g/mol.
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