Justicidin B
TL;DR: Justicidin B (CAS 17951-19-8) is a chemical compound with molecular formula C21H16O6 and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
Also Known As: Justicidin B, Justicidin A, JUSTICIDIN B [MI], 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one, 9-(Benzo[d][1,3]dioxol-5-yl)-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one
| Molecular Formula | C21H16O6 |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.0947 |
| Heavy Atoms | 27 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 17951-19-8 |
|---|---|
| SMILES | COC1=CC2=CC3=C(C(=C2C=C1OC)C4=CC5=C(C=C4)OCO5)C(=O)OC3 |
| InChIKey | RTDRYYULUYRTAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Justicidin B (CAS 17951-19-8), with molecular formula C21H16O6 and molecular weight 364.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.
Chemical Property Profile of Justicidin B
Property Insights of Justicidin B
The XLogP value of 4.0 indicates that Justicidin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Justicidin B. Following Lipinski's Rule of Five, Justicidin B has 0 hydrogen bond donor(s) and 6 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 Justicidin B?
The CAS number of Justicidin B is 17951-19-8.
What is the molecular formula of Justicidin B?
The molecular formula of Justicidin B is C21H16O6.
What is the molecular weight of Justicidin B?
The molecular weight of Justicidin B is 364.09 g/mol.
Where can I buy Justicidin B?
You can request a quote for Justicidin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Justicidin B?
Yes, KEHONG BIO provides custom synthesis services for Justicidin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.