Debrisoquin Sulfate
TL;DR: Debrisoquin Sulfate (CAS 581-88-4) is a chemical compound with molecular formula C20H28N6O4S and molecular weight 448.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3,4-dihydro-1H-isoquinoline-2-carboximidamide);sulfuric acid
Also Known As: DEBRISOQUIN SULFATE, Declinax, Tendor, Equitonil, Isocaramidine sulfate
| Molecular Formula | C20H28N6O4S |
|---|---|
| Molecular Weight | 448.19 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.18927 |
| Heavy Atoms | 31 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 581-88-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=N)N.C1CN(CC2=CC=CC=C21)C(=N)N.OS(=O)(=O)O |
| InChIKey | CAYGYVYWRIHZCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Debrisoquin Sulfate (CAS 581-88-4), with molecular formula C20H28N6O4S and molecular weight 448.19 g/mol. IUPAC: bis(3,4-dihydro-1H-isoquinoline-2-carboximidamide);sulfuric acid.
Chemical Property Profile of Debrisoquin Sulfate
Property Insights of Debrisoquin Sulfate
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Debrisoquin Sulfate. The TPSA of 189.0 Ų indicates high polarity, suggesting Debrisoquin Sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Debrisoquin Sulfate has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Debrisoquin Sulfate?
The CAS number of Debrisoquin Sulfate is 581-88-4.
What is the molecular formula of Debrisoquin Sulfate?
The molecular formula of Debrisoquin Sulfate is C20H28N6O4S.
What is the molecular weight of Debrisoquin Sulfate?
The molecular weight of Debrisoquin Sulfate is 448.19 g/mol.
Where can I buy Debrisoquin Sulfate?
You can request a quote for Debrisoquin Sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Debrisoquin Sulfate?
Yes, KEHONG BIO provides custom synthesis services for Debrisoquin Sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.