Hydroxyversicolorone
TL;DR: Hydroxyversicolorone (CAS 111975-78-1) is a chemical compound with molecular formula C20H16O8 and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2,4,6,8-tetrahydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione
Also Known As: hydroxyversicolorone, 1'-hydroxyversicolorone, (2S,3S)-2,4,6,8-tetrahydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione, (2S,3S)-2,4,6,8-tetrahydroxy-3-(3-oxobutyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione, Anthra(2,3-b)furan-5,10-dione, 2,3-dihydro-2,4,6,8-tetrahydroxy-3-(3-oxobutyl)-, (2S-trans)-
| Molecular Formula | C20H16O8 |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0845 |
| Heavy Atoms | 28 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 111975-78-1 |
|---|---|
| SMILES | CC(=O)CC[C@@H]1[C@H](OC2=C1C(=C3C(=C2)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)O |
| InChIKey | JGXCLZAVTLWCBF-LXGOIASLSA-N |
Product Overview
Hydroxyversicolorone (CAS 111975-78-1), with molecular formula C20H16O8 and molecular weight 384.08 g/mol. IUPAC: (2S,3S)-2,4,6,8-tetrahydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione.
Chemical Property Profile of Hydroxyversicolorone
Property Insights of Hydroxyversicolorone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyversicolorone. The TPSA of 141.0 Ų indicates high polarity, suggesting Hydroxyversicolorone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxyversicolorone has 4 hydrogen bond donor(s) and 8 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 Hydroxyversicolorone?
The CAS number of Hydroxyversicolorone is 111975-78-1.
What is the molecular formula of Hydroxyversicolorone?
The molecular formula of Hydroxyversicolorone is C20H16O8.
What is the molecular weight of Hydroxyversicolorone?
The molecular weight of Hydroxyversicolorone is 384.08 g/mol.
Where can I buy Hydroxyversicolorone?
You can request a quote for Hydroxyversicolorone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyversicolorone?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyversicolorone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.