Tritoqualine
TL;DR: Tritoqualine (CAS 14504-73-5) is a chemical compound with molecular formula C26H32N2O8 and molecular weight 500.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one
Also Known As: Tritoqualine, Hypostamine, Inhibostamin, Hypostamin, Livalfa
| Molecular Formula | C26H32N2O8 |
|---|---|
| Molecular Weight | 500.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.21585 |
| Heavy Atoms | 36 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 14504-73-5 |
|---|---|
| SMILES | CCOC1=C(C(=C(C2=C1C(OC2=O)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC)N)OCC)OCC |
| InChIKey | IRGJVQIJENCTQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tritoqualine (CAS 14504-73-5), with molecular formula C26H32N2O8 and molecular weight 500.22 g/mol. IUPAC: 7-amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one.
Chemical Property Profile of Tritoqualine
Property Insights of Tritoqualine
The XLogP value of 3.7 indicates that Tritoqualine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tritoqualine. Following Lipinski's Rule of Five, Tritoqualine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tritoqualine?
The CAS number of Tritoqualine is 14504-73-5.
What is the molecular formula of Tritoqualine?
The molecular formula of Tritoqualine is C26H32N2O8.
What is the molecular weight of Tritoqualine?
The molecular weight of Tritoqualine is 500.22 g/mol.
Where can I buy Tritoqualine?
You can request a quote for Tritoqualine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tritoqualine?
Yes, KEHONG BIO provides custom synthesis services for Tritoqualine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.