Justicinol
TL;DR: Justicinol (CAS 75340-41-9) is a chemical compound with molecular formula C20H12O7 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(7-hydroxy-1,3-benzodioxol-5-yl)-9H-[2]benzofuro[6,5-g][1,3]benzodioxol-7-one
Also Known As: Justicinol, Furo(3',4':6,7)naphtho(1,2-d)-1,3-dioxol-7(9H)-one, 10-(7-hydroxy-1,3-benzodioxol-5-yl)-, 10-(7-hydroxy-1,3-benzodioxol-5-yl)-9H-[2]benzofuro[6,5-g][1,3]benzodioxol-7-one, Furo[3',4':6,7]naphtho[1,2-d]-1,3-dioxol-7(9H)-one, 10-(7-hydroxy-1,3-benzodioxol-5-yl)-, 10-(7-hydroxy-1,3-benzodioxol-5-yl)-9H-(2)benzofuro(6,5-g)(1,3)benzodioxol-7-one
| Molecular Formula | C20H12O7 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.0583 |
| Heavy Atoms | 27 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 75340-41-9 |
|---|---|
| SMILES | C1C2=C(C=C3C=CC4=C(C3=C2C5=CC(=C6C(=C5)OCO6)O)OCO4)C(=O)O1 |
| InChIKey | XBSPLPGHPGZJCI-UHFFFAOYSA-N |
Product Overview
Justicinol (CAS 75340-41-9), with molecular formula C20H12O7 and molecular weight 364.06 g/mol. IUPAC: 10-(7-hydroxy-1,3-benzodioxol-5-yl)-9H-[2]benzofuro[6,5-g][1,3]benzodioxol-7-one.
Chemical Property Profile of Justicinol
Property Insights of Justicinol
The XLogP value of 3.5 indicates that Justicinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Justicinol. Following Lipinski's Rule of Five, Justicinol has 1 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 Justicinol?
The CAS number of Justicinol is 75340-41-9.
What is the molecular formula of Justicinol?
The molecular formula of Justicinol is C20H12O7.
What is the molecular weight of Justicinol?
The molecular weight of Justicinol is 364.06 g/mol.
Where can I buy Justicinol?
You can request a quote for Justicinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Justicinol?
Yes, KEHONG BIO provides custom synthesis services for Justicinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.