TL;DR: Knerachelin B (CAS 152110-17-3) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,6-dihydroxyphenyl)-5-phenylpentan-1-one
Also Known As: Knerachelin B, 1-(2,6-dihydroxyphenyl)-5-phenylpentan-1-one, 1-(2,6-dihydroxyphenyl)-5-phenyl-1-pentanone, 1-Pentanone, 1-(2,6-dihydroxyphenyl)-5-phenyl-, (1S,3aR,4R,7S,8R,8aR)-7-Isopropyl-1,4-dimethyldecahydro-1,4,8-azu lenetriol
| Molecular Formula | C17H18O3 |
| Molecular Weight | 270.12558 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.12558 Da |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
| SMILES | C1=CC=C(C=C1)CCCCC(=O)C2=C(C=CC=C2O)O |
| InChIKey | MCFQVPWNIUZPJV-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Knerachelin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Knerachelin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Knerachelin B has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Knerachelin B is 152110-17-3.
The molecular formula of Knerachelin B is C17H18O3.
The molecular weight of Knerachelin B is 270.12558 g/mol.
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