Scandione
TL;DR: Scandione (CAS 714951-95-8) is a chemical compound with molecular formula C16H12O7 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-hydroxy-1,3-benzodioxol-5-yl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
Also Known As: Scandione, J2.057.507G, 2',2''-Dihydroxy-4'methoxy-4'',5''-methylenedioxybenzil, 1-(2-Hydroxy-4-methoxyphenyl)-2-(5-hydroxy-1,3-benzodioxole-6-yl)-1,2-ethanedione, 1-(2-Hydroxy-4-methoxyphenyl)-2-(6-hydroxybenzo[d][1,3]dioxol-5-yl)ethane-1,2-dione
| Molecular Formula | C16H12O7 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0583 |
| Heavy Atoms | 23 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 714951-95-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)C(=O)C2=CC3=C(C=C2O)OCO3)O |
| InChIKey | LIBXIJWGDDLJBP-UHFFFAOYSA-N |
Product Overview
Scandione (CAS 714951-95-8), with molecular formula C16H12O7 and molecular weight 316.06 g/mol. IUPAC: 1-(6-hydroxy-1,3-benzodioxol-5-yl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione.
Chemical Property Profile of Scandione
Property Insights of Scandione
The XLogP value of 3.1 indicates that Scandione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Scandione. Following Lipinski's Rule of Five, Scandione has 2 hydrogen bond donor(s) and 7 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 Scandione?
The CAS number of Scandione is 714951-95-8.
What is the molecular formula of Scandione?
The molecular formula of Scandione is C16H12O7.
What is the molecular weight of Scandione?
The molecular weight of Scandione is 316.06 g/mol.
Where can I buy Scandione?
You can request a quote for Scandione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scandione?
Yes, KEHONG BIO provides custom synthesis services for Scandione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.