Versiconol acetate
TL;DR: Versiconol acetate (CAS 70979-72-5) is a chemical compound with molecular formula C20H18O9 and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate
Also Known As: Versiconol acetate, 4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butyl acetate, [4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate, 2-[3-Acetoxy-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-9,10-anthracenedione, 9,10-Anthracenedione, 2-(3-(acetyloxy)-1-(hydroxymethyl)propyl)-1,3,6,8-tetrahydroxy-, (-)-
| Molecular Formula | C20H18O9 |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0951 |
| Heavy Atoms | 29 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 70979-72-5 |
|---|---|
| SMILES | CC(=O)OCCC(CO)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O |
| InChIKey | BWYUKBCRHDFWFF-UHFFFAOYSA-N |
Product Overview
Versiconol acetate (CAS 70979-72-5), with molecular formula C20H18O9 and molecular weight 402.10 g/mol. IUPAC: [4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate.
Chemical Property Profile of Versiconol acetate
Property Insights of Versiconol acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Versiconol acetate. The TPSA of 162.0 Ų indicates high polarity, suggesting Versiconol acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Versiconol acetate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Versiconol acetate?
The CAS number of Versiconol acetate is 70979-72-5.
What is the molecular formula of Versiconol acetate?
The molecular formula of Versiconol acetate is C20H18O9.
What is the molecular weight of Versiconol acetate?
The molecular weight of Versiconol acetate is 402.10 g/mol.
Where can I buy Versiconol acetate?
You can request a quote for Versiconol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Versiconol acetate?
Yes, KEHONG BIO provides custom synthesis services for Versiconol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.