Versiconal hemiacetal acetate
TL;DR: Versiconal hemiacetal acetate (CAS 62886-00-4) is a chemical compound with molecular formula C20H16O9 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6,8-tetrahydroxy-5,10-dioxo-2,3-dihydronaphtho[2,3-f][1]benzofuran-3-yl)ethyl acetate
Also Known As: Versiconal hemiacetal acetate, 3-(2-(Acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dione, 2-(2,4,6,8-tetrahydroxy-5,10-dioxo-2,3-dihydronaphtho[2,3-f][1]benzofuran-3-yl)ethyl acetate, 2-(2,4,6,8-tetrahydroxy-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-3-yl)ethyl acetate, 3-(2-Acetoxyethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra[2,3-b]furan-5,10-dione
| Molecular Formula | C20H16O9 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.07944 |
| Heavy Atoms | 29 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 62886-00-4 |
|---|---|
| SMILES | CC(=O)OCCC1C(OC2=C1C(=C3C(=C2)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)O |
| InChIKey | DYJNRRXQVSJBAA-UHFFFAOYSA-N |
Product Overview
Versiconal hemiacetal acetate (CAS 62886-00-4), with molecular formula C20H16O9 and molecular weight 400.08 g/mol. IUPAC: 2-(2,4,6,8-tetrahydroxy-5,10-dioxo-2,3-dihydronaphtho[2,3-f][1]benzofuran-3-yl)ethyl acetate.
Chemical Property Profile of Versiconal hemiacetal acetate
Property Insights of Versiconal hemiacetal acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Versiconal hemiacetal acetate. The TPSA of 151.0 Ų indicates high polarity, suggesting Versiconal hemiacetal acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Versiconal hemiacetal 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
Frequently Asked Questions
What is the CAS number of Versiconal hemiacetal acetate?
The CAS number of Versiconal hemiacetal acetate is 62886-00-4.
What is the molecular formula of Versiconal hemiacetal acetate?
The molecular formula of Versiconal hemiacetal acetate is C20H16O9.
What is the molecular weight of Versiconal hemiacetal acetate?
The molecular weight of Versiconal hemiacetal acetate is 400.08 g/mol.
Where can I buy Versiconal hemiacetal acetate?
You can request a quote for Versiconal hemiacetal acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Versiconal hemiacetal acetate?
Yes, KEHONG BIO provides custom synthesis services for Versiconal hemiacetal acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.