Triazoxide
TL;DR: Triazoxide (CAS 72459-58-6) is a chemical compound with molecular formula C10H6ClN5O and molecular weight 247.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium
Also Known As: Triazoxide, Triazoxid, Triazoxide [ISO], Brio, TRIAZOXIDE [MI]
| Molecular Formula | C10H6ClN5O |
|---|---|
| Molecular Weight | 247.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.0261 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 72459-58-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)[N+](=NC(=N2)N3C=CN=C3)[O-] |
| InChIKey | IQGKIPDJXCAMSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triazoxide (CAS 72459-58-6), with molecular formula C10H6ClN5O and molecular weight 247.03 g/mol. IUPAC: 7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium.
Chemical Property Profile of Triazoxide
Property Insights of Triazoxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triazoxide. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Triazoxide. Following Lipinski's Rule of Five, Triazoxide has 0 hydrogen bond donor(s) and 4 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 Triazoxide?
The CAS number of Triazoxide is 72459-58-6.
What is the molecular formula of Triazoxide?
The molecular formula of Triazoxide is C10H6ClN5O.
What is the molecular weight of Triazoxide?
The molecular weight of Triazoxide is 247.03 g/mol.
Where can I buy Triazoxide?
You can request a quote for Triazoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triazoxide?
Yes, KEHONG BIO provides custom synthesis services for Triazoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.