TL;DR: Chrysotoxine (CAS 156951-82-5) is a chemical compound with molecular formula C18H22O5 and molecular weight 318.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxyphenol
Also Known As: Chrysotoxine, chrysotoxin, 4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxyphenol, Phenol, 4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxy-, 4-(3,4-dimethoxyphenethyl)-2,6-dimethoxyphenol
| Molecular Formula | C18H22O5 |
| Molecular Weight | 318.14673 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.14673 Da |
| Heavy Atoms | 23 |
| Complexity | 323.0 |
| SMILES | COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)OC)OC |
| InChIKey | YUHRVKGYFHPWRI-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Chrysotoxine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Chrysotoxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chrysotoxine has 1 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 Chrysotoxine is 156951-82-5.
The molecular formula of Chrysotoxine is C18H22O5.
The molecular weight of Chrysotoxine is 318.14673 g/mol.
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