TL;DR: Knerachelin A (CAS 152110-11-7) is a chemical compound with molecular formula C18H20O4 and molecular weight 300.13617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,6-dihydroxy-4-methoxyphenyl)-5-phenylpentan-1-one
Also Known As: Knerachelin A, 1-(2,6-dihydroxy-4-methoxyphenyl)-5-phenylpentan-1-one, 1-Pentanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-5-phenyl-, 1-(2,6-Dihydroxy-4-methoxyphenyl)-5-phenyl-1-pentanone, 1-Pentanone,1-(2,6-dihydroxy-4-methoxyphenyl)-5-phenyl
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.13617 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.13617 Da |
| Heavy Atoms | 22 |
| Complexity | 326.0 |
| SMILES | COC1=CC(=C(C(=C1)O)C(=O)CCCCC2=CC=CC=C2)O |
| InChIKey | ICBQRENZQVXEPH-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Knerachelin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Knerachelin A. Following Lipinski's Rule of Five, Knerachelin A has 2 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 Knerachelin A is 152110-11-7.
The molecular formula of Knerachelin A is C18H20O4.
The molecular weight of Knerachelin A is 300.13617 g/mol.
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