Trazium Esilate
TL;DR: Trazium Esilate (CAS 97110-59-3) is a chemical compound with molecular formula C19H18ClN3O4S and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol;ethanesulfonate
Also Known As: Trazium Esilate, Trazinum esilate, Trazii esilas, Esilato de trazio, Esilate de trazium
| Molecular Formula | C19H18ClN3O4S |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 2.11 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 419.07065 |
| Heavy Atoms | 28 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 97110-59-3 |
|---|---|
| SMILES | CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=C2C(N=CN3)(C4=CC=C(C=C4)Cl)O |
| InChIKey | SHXJBCWOVPAZQL-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trazium Esilate (CAS 97110-59-3), with molecular formula C19H18ClN3O4S and molecular weight 419.07 g/mol. IUPAC: 1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol;ethanesulfonate.
Chemical Property Profile of Trazium Esilate
Property Insights of Trazium Esilate
The XLogP value of 2.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trazium Esilate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trazium Esilate. Following Lipinski's Rule of Five, Trazium Esilate has 2 hydrogen bond donor(s) and 5 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 Trazium Esilate?
The CAS number of Trazium Esilate is 97110-59-3.
What is the molecular formula of Trazium Esilate?
The molecular formula of Trazium Esilate is C19H18ClN3O4S.
What is the molecular weight of Trazium Esilate?
The molecular weight of Trazium Esilate is 419.07 g/mol.
Where can I buy Trazium Esilate?
You can request a quote for Trazium Esilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trazium Esilate?
Yes, KEHONG BIO provides custom synthesis services for Trazium Esilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.