Isokanugin
TL;DR: Isokanugin (CAS 4494-27-3) is a chemical compound with molecular formula C19H16O7 and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-3,5,7-trimethoxychromen-4-one
Also Known As: Isokanugin, 3,5,7-Trimethoxy-3',4'-methylenedioxyflavone, NCI60_027971, 3,7-Trimethoxy-3',4'-methylenedioxyflavone, 2-(1,3-benzodioxol-5-yl)-3,5,7-trimethoxychromen-4-one
| Molecular Formula | C19H16O7 |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0896 |
| Heavy Atoms | 26 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 4494-27-3 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC |
| InChIKey | GDROEPRRAVOAOE-UHFFFAOYSA-N |
Product Overview
Isokanugin (CAS 4494-27-3), with molecular formula C19H16O7 and molecular weight 356.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-3,5,7-trimethoxychromen-4-one.
Chemical Property Profile of Isokanugin
Property Insights of Isokanugin
The XLogP value of 3.1 indicates that Isokanugin 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 Isokanugin. Following Lipinski's Rule of Five, Isokanugin 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 Isokanugin?
The CAS number of Isokanugin is 4494-27-3.
What is the molecular formula of Isokanugin?
The molecular formula of Isokanugin is C19H16O7.
What is the molecular weight of Isokanugin?
The molecular weight of Isokanugin is 356.09 g/mol.
Where can I buy Isokanugin?
You can request a quote for Isokanugin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isokanugin?
Yes, KEHONG BIO provides custom synthesis services for Isokanugin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.