Isoamericanol A
TL;DR: Isoamericanol A (CAS 133838-66-1) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
Also Known As: Isoamericanol A, J3.027.242K, 4-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol, 1,2-Benzenediol, 4-(2,3-dihydro-3-(hydroxymethyl)-7-(3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, (2alpha,3beta,7(E))-, (2R)-3beta-(3,4-Dihydroxyphenyl)-6-(3-hydroxy-1-propenyl)-2,3-dihydro-1,4-benzodioxin-2alpha-methanol
Technical Specifications
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.11035 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11035 Da |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
| SMILES | C1=CC2=C(C=C1/C=C/CO)O[C@@H]([C@H](O2)CO)C3=CC(=C(C=C3)O)O |
| InChIKey | PPZYUSOIUGJLFB-ZHEVZCJESA-N |
Chemical Property Profile of Isoamericanol A
Property Insights of Isoamericanol A
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamericanol A. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoamericanol A. Following Lipinski's Rule of Five, Isoamericanol A has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoamericanol A?
The CAS number of Isoamericanol A is 133838-66-1.
What is the molecular formula of Isoamericanol A?
The molecular formula of Isoamericanol A is C18H18O6.
What is the molecular weight of Isoamericanol A?
The molecular weight of Isoamericanol A is 330.11035 g/mol.
Where can I buy Isoamericanol A?
You can request a quote for Isoamericanol A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamericanol A?
Yes, CoreyChem provides custom synthesis services for Isoamericanol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.