Petasiphenol
TL;DR: Petasiphenol (CAS 145904-50-3) is a chemical compound with molecular formula C18H16O7 and molecular weight 344.0896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(3,4-dihydroxyphenyl)-2-oxopropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Petasiphenol, Petasiphenol rac, 3-(3,4-Dihydroxyphenyl)-2-oxopropyl caffeate, [3-(3,4-dihydroxyphenyl)-2-oxopropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-(3,4-dihydroxyphenyl)-2-oxopropyl ester
Technical Specifications
| Molecular Formula | C18H16O7 |
| Molecular Weight | 344.0896 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.0896 Da |
| Heavy Atoms | 25 |
| Complexity | 490.0 |
| SMILES | C1=CC(=C(C=C1CC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O |
| InChIKey | VMNHBRAHVFOYGK-ZZXKWVIFSA-N |
Chemical Property Profile of Petasiphenol
Property Insights of Petasiphenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Petasiphenol. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Petasiphenol. Following Lipinski's Rule of Five, Petasiphenol has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Petasiphenol?
The CAS number of Petasiphenol is 145904-50-3.
What is the molecular formula of Petasiphenol?
The molecular formula of Petasiphenol is C18H16O7.
What is the molecular weight of Petasiphenol?
The molecular weight of Petasiphenol is 344.0896 g/mol.
Where can I buy Petasiphenol?
You can request a quote for Petasiphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Petasiphenol?
Yes, CoreyChem provides custom synthesis services for Petasiphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.