Versiconal acetate
TL;DR: Versiconal acetate (CAS 52021-61-1) is a chemical compound with molecular formula C20H16O9 and molecular weight 400.07944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate
Also Known As: Versiconal acetate, 2-Anthraceneacetaldehyde, 9,10-dihydro-alpha-(2-(acetyloxy)ethyl)-9,10-dioxo-1,3,6,8-tetrahydroxy-, [4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate, 2-Anthraceneacetaldehyde, .alpha.-[2-(acetyloxy)ethyl]-9,10-dihydro-1,3,6,8-tetrahydroxy-9,10-dioxo-, (-)-, 4-OXO-3-(1,3,6,8-TETRAHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)BUTYL ACETATE
Technical Specifications
| Molecular Formula | C20H16O9 |
| Molecular Weight | 400.07944 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.07944 Da |
| Heavy Atoms | 29 |
| Complexity | 677.0 |
| SMILES | CC(=O)OCCC(C=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O |
| InChIKey | YTGNIIJMSNZCOG-UHFFFAOYSA-N |
Chemical Property Profile of Versiconal acetate
Property Insights of Versiconal acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Versiconal acetate. The TPSA of 158.0 Ų indicates high polarity, suggesting Versiconal acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Versiconal acetate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Versiconal acetate?
The CAS number of Versiconal acetate is 52021-61-1.
What is the molecular formula of Versiconal acetate?
The molecular formula of Versiconal acetate is C20H16O9.
What is the molecular weight of Versiconal acetate?
The molecular weight of Versiconal acetate is 400.07944 g/mol.
Where can I buy Versiconal acetate?
You can request a quote for Versiconal acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Versiconal acetate?
Yes, CoreyChem provides custom synthesis services for Versiconal acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.