Justicidin C
TL;DR: Justicidin C (CAS 17803-12-2) is a chemical compound with molecular formula C22H18O7 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-benzo[f][2]benzofuran-3-one
Also Known As: Justicidin C, NEOJUSTICIN B, Justicindin A, Justicidin A, Justicidin C(Neojusticin B)
| Molecular Formula | C22H18O7 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.10526 |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 17803-12-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=C3COC(=O)C3=C2OC)C4=CC5=C(C=C4)OCO5)OC |
| InChIKey | RHTTTZYNBXNPSZ-UHFFFAOYSA-N |
Product Overview
Justicidin C (CAS 17803-12-2), with molecular formula C22H18O7 and molecular weight 394.11 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-benzo[f][2]benzofuran-3-one.
Chemical Property Profile of Justicidin C
Property Insights of Justicidin C
The XLogP value of 4.0 indicates that Justicidin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Justicidin C. Following Lipinski's Rule of Five, Justicidin C has 0 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 Justicidin C?
The CAS number of Justicidin C is 17803-12-2.
What is the molecular formula of Justicidin C?
The molecular formula of Justicidin C is C22H18O7.
What is the molecular weight of Justicidin C?
The molecular weight of Justicidin C is 394.11 g/mol.
Where can I buy Justicidin C?
You can request a quote for Justicidin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Justicidin C?
Yes, KEHONG BIO provides custom synthesis services for Justicidin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.